chemruby 0.9.3 → 1.1.9
Sign up to get free protection for your applications and to get access to all the features.
- data/README +2 -2
- data/Rakefile +67 -63
- data/ext/extconf.rb +2 -0
- data/ext/subcomp.c +461 -320
- data/ext/utils.c +56 -0
- data/ext/utils.h +13 -0
- data/lib/chem.rb +34 -8
- data/lib/chem/db.rb +8 -0
- data/lib/chem/db/cansmi.rb +1 -1
- data/lib/chem/db/cdx.rb +1 -1
- data/lib/chem/db/cml.rb +52 -0
- data/lib/chem/db/gd.rb +64 -0
- data/lib/chem/db/gspan.rb +2 -2
- data/lib/chem/db/kcf_rpair.rb +34 -0
- data/lib/chem/db/kegg.rb +35 -1
- data/lib/chem/db/mdl.rb +75 -34
- data/lib/chem/db/opsin.rb +24 -0
- data/lib/chem/db/pdb.rb +105 -0
- data/lib/chem/db/pdf.rb +2 -0
- data/lib/chem/db/pubchem.rb +1071 -88
- data/lib/chem/db/rmagick.rb +5 -3
- data/lib/chem/db/sdf.rb +28 -2
- data/lib/chem/db/smiles/smiles.ry +27 -25
- data/lib/chem/db/smiles/smiparser.rb +29 -27
- data/lib/chem/db/types/type_gd.rb +35 -0
- data/lib/chem/db/types/type_gspan.rb +2 -2
- data/lib/chem/db/types/type_kcf.rb +19 -0
- data/lib/chem/db/types/type_kegg.rb +2 -0
- data/lib/chem/db/types/type_mdl.rb +1 -1
- data/lib/chem/db/types/type_png.rb +5 -1
- data/lib/chem/db/types/type_rdf.rb +22 -0
- data/lib/chem/db/types/type_xyz.rb +1 -1
- data/lib/chem/db/vector.rb +19 -3
- data/lib/chem/model.rb +5 -2
- data/lib/chem/utils.rb +17 -1
- data/lib/chem/utils/bitdb.rb +49 -0
- data/lib/chem/utils/cas.rb +28 -0
- data/lib/chem/utils/cdk.rb +403 -0
- data/lib/chem/utils/fingerprint.rb +98 -0
- data/lib/chem/utils/geometry.rb +8 -0
- data/lib/chem/utils/net.rb +303 -0
- data/lib/chem/utils/once.rb +28 -0
- data/lib/chem/utils/openbabel.rb +204 -0
- data/lib/chem/utils/sssr.rb +33 -25
- data/lib/chem/utils/sub.rb +6 -0
- data/lib/chem/utils/transform.rb +9 -8
- data/lib/chem/utils/ullmann.rb +138 -95
- data/lib/graph.rb +5 -6
- data/lib/graph/utils.rb +8 -0
- data/sample/calc_maximum_common_subgraph.rb +27 -0
- data/sample/calc_properties.rb +9 -0
- data/sample/data/atp.mol +69 -0
- data/sample/data/pioglitazone.mol +58 -0
- data/sample/data/rosiglitazone.mol +55 -0
- data/sample/data/troglitazone.mol +70 -0
- data/sample/find_compound_by_keggapi.rb +19 -0
- data/sample/generate_inchi.rb +7 -0
- data/sample/generate_substructurekey.rb +11 -0
- data/sample/images/ex6.rb +17 -0
- data/sample/images/ex7.rb +18 -0
- data/sample/iupac2mol.rb +8 -0
- data/sample/kekule.rb +13 -0
- data/sample/logp.rb +4 -0
- data/sample/mcs.rb +13 -0
- data/sample/mol2pdf.rb +8 -0
- data/sample/pubchem_fetch.rb +8 -0
- data/sample/pubchem_search.rb +12 -0
- data/sample/rosiglitazone.mol +57 -0
- data/sample/smarts.rb +10 -0
- data/sample/structure_match.rb +8 -0
- data/sample/structure_match_color.rb +22 -0
- data/sample/thiazolidinedione.mol +19 -0
- data/sample/troglitazone.mol +232 -0
- data/sample/vicinity.rb +8 -0
- data/test/data/CID_704.sdf +236 -0
- data/test/data/CID_994.sdf +146 -0
- data/test/data/db_EXPT03276.txt +321 -0
- data/test/data/pioglitazone.mol +58 -0
- data/test/data/rosiglitazone.mol +55 -0
- data/test/data/thiazolidinedione.mol +19 -0
- data/test/data/troglitazone.mol +70 -0
- data/test/{test_adj.rb → tc_adj.rb} +0 -0
- data/test/{test_canonical_smiles.rb → tc_canonical_smiles.rb} +0 -0
- data/test/tc_casrn.rb +17 -0
- data/test/tc_cdk.rb +89 -0
- data/test/{test_cdx.rb → tc_cdx.rb} +0 -0
- data/test/{test_chem.rb → tc_chem.rb} +0 -0
- data/test/{test_cluster.rb → tc_cluster.rb} +0 -0
- data/test/{test_db.rb → tc_db.rb} +0 -0
- data/test/tc_develop.rb +38 -0
- data/test/tc_drugbank.rb +13 -0
- data/test/{test_eps.rb → tc_eps.rb} +0 -0
- data/test/tc_gd.rb +8 -0
- data/test/{test_geometry.rb → tc_geometry.rb} +0 -0
- data/test/tc_graph.rb +15 -0
- data/test/{test_gspan.rb → tc_gspan.rb} +0 -0
- data/test/{test_iupac.rb → tc_iupac.rb} +0 -0
- data/test/{test_kcf.rb → tc_kcf.rb} +0 -0
- data/test/{test_kcf_glycan.rb → tc_kcf_glycan.rb} +0 -0
- data/test/{test_kegg.rb → tc_kegg.rb} +13 -0
- data/test/{test_linucs.rb → tc_linucs.rb} +0 -0
- data/test/{test_mdl.rb → tc_mdl.rb} +20 -0
- data/test/{test_mol2.rb → tc_mol2.rb} +1 -1
- data/test/{test_morgan.rb → tc_morgan.rb} +0 -0
- data/test/tc_net.rb +5 -0
- data/test/tc_once.rb +29 -0
- data/test/tc_openbabel.rb +57 -0
- data/test/{test_pdf.rb → tc_pdf.rb} +0 -0
- data/test/{test_prop.rb → tc_prop.rb} +1 -1
- data/test/tc_pubchem.rb +32 -0
- data/test/{test_rmagick.rb → tc_rmagick.rb} +0 -0
- data/test/{test_sbdb.rb → tc_sbdb.rb} +0 -0
- data/test/{test_sdf.rb → tc_sdf.rb} +2 -0
- data/test/{test_smiles.rb → tc_smiles.rb} +46 -30
- data/test/tc_sssr.rb +1 -0
- data/test/{test_sub.rb → tc_sub.rb} +0 -0
- data/test/tc_subcomp.rb +59 -0
- data/test/{test_traverse.rb → tc_traverse.rb} +0 -0
- data/test/{test_writer.rb → tc_writer.rb} +0 -0
- data/test/{test_xyz.rb → tc_xyz.rb} +0 -0
- data/test/ts_current.rb +11 -0
- data/test/ts_image.rb +6 -0
- data/test/ts_main.rb +12 -0
- metadata +259 -194
- data/lib/chem/utils/graph_db.rb +0 -146
- data/test/test_sssr.rb +0 -18
- data/test/test_subcomp.rb +0 -37
@@ -0,0 +1,146 @@
|
|
1
|
+
994
|
2
|
+
-OEChem-10300603512D
|
3
|
+
|
4
|
+
23 23 0 1 0 0 0 0 0999 V2000
|
5
|
+
4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
6
|
+
2.8660 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
7
|
+
4.5981 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
8
|
+
2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
9
|
+
3.7321 0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
|
10
|
+
2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
11
|
+
3.7321 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
12
|
+
2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
13
|
+
3.7321 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
14
|
+
3.7321 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
15
|
+
2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
16
|
+
2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
17
|
+
2.6540 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
18
|
+
2.2554 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
19
|
+
3.7321 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
20
|
+
4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
21
|
+
1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
22
|
+
5.1350 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
23
|
+
4.5981 -0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
24
|
+
4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
25
|
+
1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
26
|
+
2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
27
|
+
4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
|
28
|
+
1 9 1 0 0 0 0
|
29
|
+
1 23 1 0 0 0 0
|
30
|
+
2 9 2 0 0 0 0
|
31
|
+
3 5 1 0 0 0 0
|
32
|
+
3 18 1 0 0 0 0
|
33
|
+
3 19 1 0 0 0 0
|
34
|
+
4 5 1 0 0 0 0
|
35
|
+
4 6 1 0 0 0 0
|
36
|
+
4 13 1 0 0 0 0
|
37
|
+
4 14 1 0 0 0 0
|
38
|
+
5 9 1 0 0 0 0
|
39
|
+
5 15 1 0 0 0 0
|
40
|
+
6 7 2 0 0 0 0
|
41
|
+
6 8 1 0 0 0 0
|
42
|
+
7 10 1 0 0 0 0
|
43
|
+
7 16 1 0 0 0 0
|
44
|
+
8 11 2 0 0 0 0
|
45
|
+
8 17 1 0 0 0 0
|
46
|
+
10 12 2 0 0 0 0
|
47
|
+
10 20 1 0 0 0 0
|
48
|
+
11 12 1 0 0 0 0
|
49
|
+
11 21 1 0 0 0 0
|
50
|
+
12 22 1 0 0 0 0
|
51
|
+
M END
|
52
|
+
> <PUBCHEM_COMPOUND_CID>
|
53
|
+
994
|
54
|
+
|
55
|
+
> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
|
56
|
+
3
|
57
|
+
|
58
|
+
> <PUBCHEM_CACTVS_HBOND_DONOR>
|
59
|
+
2
|
60
|
+
|
61
|
+
> <PUBCHEM_CACTVS_ROTATABLE_BOND>
|
62
|
+
3
|
63
|
+
|
64
|
+
> <PUBCHEM_CACTVS_SUBSKEYS>
|
65
|
+
AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjBmAQwCIBAAgCIAiDSCAACAAAgAAAIiIGAAIgKIDKAkRGAYAAkkAAIiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
|
66
|
+
|
67
|
+
> <PUBCHEM_IUPAC_OPENEYE_NAME>
|
68
|
+
2-amino-3-phenyl-propanoic acid
|
69
|
+
|
70
|
+
> <PUBCHEM_IUPAC_CAS_NAME>
|
71
|
+
2-amino-3-phenyl-propanoic acid
|
72
|
+
|
73
|
+
> <PUBCHEM_IUPAC_NAME>
|
74
|
+
2-amino-3-phenyl-propanoic acid
|
75
|
+
|
76
|
+
> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
|
77
|
+
2-amino-3-phenyl-propanoic acid
|
78
|
+
|
79
|
+
> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
|
80
|
+
2-amino-3-phenyl-propanoic acid
|
81
|
+
|
82
|
+
> <PUBCHEM_NIST_INCHI>
|
83
|
+
InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/f/h11H
|
84
|
+
|
85
|
+
> <PUBCHEM_CACTVS_XLOGP>
|
86
|
+
-1.379
|
87
|
+
|
88
|
+
> <PUBCHEM_CACTVS_EXACT_MASS>
|
89
|
+
165.079
|
90
|
+
|
91
|
+
> <PUBCHEM_OPENEYE_MF>
|
92
|
+
C9H11NO2
|
93
|
+
|
94
|
+
> <PUBCHEM_OPENEYE_MW>
|
95
|
+
165.189
|
96
|
+
|
97
|
+
> <PUBCHEM_OPENEYE_CAN_SMILES>
|
98
|
+
C1=CC=C(C=C1)CC(C(=O)O)N
|
99
|
+
|
100
|
+
> <PUBCHEM_OPENEYE_ISO_SMILES>
|
101
|
+
C1=CC=C(C=C1)CC(C(=O)O)N
|
102
|
+
|
103
|
+
> <PUBCHEM_CACTVS_TPSA>
|
104
|
+
63.32
|
105
|
+
|
106
|
+
> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
|
107
|
+
165.079
|
108
|
+
|
109
|
+
> <PUBCHEM_TOTAL_CHARGE>
|
110
|
+
0
|
111
|
+
|
112
|
+
> <PUBCHEM_HEAVY_ATOM_COUNT>
|
113
|
+
12
|
114
|
+
|
115
|
+
> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
|
116
|
+
0
|
117
|
+
|
118
|
+
> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
|
119
|
+
1
|
120
|
+
|
121
|
+
> <PUBCHEM_BOND_DEF_STEREO_COUNT>
|
122
|
+
0
|
123
|
+
|
124
|
+
> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
|
125
|
+
0
|
126
|
+
|
127
|
+
> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
|
128
|
+
0
|
129
|
+
|
130
|
+
> <PUBCHEM_COMPONENT_COUNT>
|
131
|
+
1
|
132
|
+
|
133
|
+
> <PUBCHEM_CACTVS_TAUTO_COUNT>
|
134
|
+
1
|
135
|
+
|
136
|
+
> <PUBCHEM_BONDANNOTATIONS>
|
137
|
+
10 12 8
|
138
|
+
11 12 8
|
139
|
+
5 3 3
|
140
|
+
6 7 8
|
141
|
+
6 8 8
|
142
|
+
7 10 8
|
143
|
+
8 11 8
|
144
|
+
|
145
|
+
$$$$
|
146
|
+
|
@@ -0,0 +1,321 @@
|
|
1
|
+
# Creation_Date:
|
2
|
+
2005/6/27 0:34:27 GMT
|
3
|
+
|
4
|
+
# Accession_No:
|
5
|
+
EXPT03276
|
6
|
+
|
7
|
+
# Generic_Name:
|
8
|
+
(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid
|
9
|
+
|
10
|
+
# Brand_Names/Synonyms:
|
11
|
+
Not Available
|
12
|
+
|
13
|
+
# Brand_Names_Mixture:
|
14
|
+
Not Available
|
15
|
+
|
16
|
+
# Chemical_IUPAC_Name:
|
17
|
+
(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID
|
18
|
+
|
19
|
+
# Chemical_Formula:
|
20
|
+
C25H25N1O4
|
21
|
+
|
22
|
+
# Chemical_Structure:
|
23
|
+
YPA.png
|
24
|
+
|
25
|
+
# CAS_Registry_Number:
|
26
|
+
Not Available
|
27
|
+
|
28
|
+
# InChI_Identifier:
|
29
|
+
Not Available
|
30
|
+
|
31
|
+
# KEGG_Compound_ID:
|
32
|
+
Not Available
|
33
|
+
|
34
|
+
# PubChem_Substance_ID:
|
35
|
+
Not Available
|
36
|
+
|
37
|
+
# PubChem_Compound_ID:
|
38
|
+
Not Available
|
39
|
+
|
40
|
+
# ChEBI_ID:
|
41
|
+
Not Available
|
42
|
+
|
43
|
+
# PharmGKB_ID:
|
44
|
+
Not Available
|
45
|
+
|
46
|
+
# HET_ID:
|
47
|
+
YPA
|
48
|
+
|
49
|
+
# SwissProt_ID:
|
50
|
+
Not Available
|
51
|
+
|
52
|
+
# GenBank_ID:
|
53
|
+
Not Available
|
54
|
+
|
55
|
+
# Drug_ID_Number_[DIN]:
|
56
|
+
Not Available
|
57
|
+
|
58
|
+
# RxList_Link:
|
59
|
+
Not Available
|
60
|
+
|
61
|
+
# FDA_Label:
|
62
|
+
Not Available
|
63
|
+
|
64
|
+
# MSDS_Material_Safety_Sheet:
|
65
|
+
Not Available
|
66
|
+
|
67
|
+
# Synthesis_Reference:
|
68
|
+
Not Available
|
69
|
+
|
70
|
+
# Molecular_Weight:
|
71
|
+
403.477 g/mol
|
72
|
+
|
73
|
+
# Melting_Point:
|
74
|
+
Not Available
|
75
|
+
|
76
|
+
# H2O_Solubility:
|
77
|
+
Not Available
|
78
|
+
|
79
|
+
# State:
|
80
|
+
Solid
|
81
|
+
|
82
|
+
# LogP:
|
83
|
+
Not Available
|
84
|
+
|
85
|
+
# Isoelectric_Point:
|
86
|
+
Not Available
|
87
|
+
|
88
|
+
# NMR_Spectrum:
|
89
|
+
Not Available
|
90
|
+
|
91
|
+
# Mass_Spectrum:
|
92
|
+
Not Available
|
93
|
+
|
94
|
+
# MOL_File_Image:
|
95
|
+
YPA.mol
|
96
|
+
|
97
|
+
# MOL_File_Text:
|
98
|
+
YPA.mol
|
99
|
+
|
100
|
+
# SDF_File_[Text]:
|
101
|
+
YPA.sdf
|
102
|
+
|
103
|
+
# PDB_File_Calculated_Image:
|
104
|
+
YPA.pdb
|
105
|
+
|
106
|
+
# PDB_File_Calculated_Text:
|
107
|
+
YPA.txt
|
108
|
+
|
109
|
+
# PDB_(Experimental)_ID:
|
110
|
+
1KNU
|
111
|
+
|
112
|
+
# PDB_File_Experimental_Image:
|
113
|
+
Not Available
|
114
|
+
|
115
|
+
# PDB_File_Experimental_Text:
|
116
|
+
Not Available
|
117
|
+
|
118
|
+
# Smiles_String:
|
119
|
+
CCOC(Cc1ccc(OCC[n]2c3ccccc3c4ccccc24)cc1)C(O)=O
|
120
|
+
|
121
|
+
# Drug_Type:
|
122
|
+
Experimental Drug
|
123
|
+
|
124
|
+
# Drug_Category:
|
125
|
+
Peroxisome Proliferator Activated Receptor G inhibitor
|
126
|
+
|
127
|
+
# Indication:
|
128
|
+
Not Available
|
129
|
+
|
130
|
+
# Pharmacology:
|
131
|
+
Not Available
|
132
|
+
|
133
|
+
# Mechanism_Of_Action:
|
134
|
+
Not Available
|
135
|
+
|
136
|
+
# Absorption:
|
137
|
+
Not Available
|
138
|
+
|
139
|
+
# Toxicity:
|
140
|
+
Not Available
|
141
|
+
|
142
|
+
# Protein_Binding_[%]:
|
143
|
+
Not Available
|
144
|
+
|
145
|
+
# Biotransformation:
|
146
|
+
Not Available
|
147
|
+
|
148
|
+
# Half_Life:
|
149
|
+
Not Available
|
150
|
+
|
151
|
+
# Dosage_Forms:
|
152
|
+
Not Available
|
153
|
+
|
154
|
+
# Patient_Information:
|
155
|
+
Not Available
|
156
|
+
|
157
|
+
# Interactions:
|
158
|
+
Not Available
|
159
|
+
|
160
|
+
# Contraindications:
|
161
|
+
Not Available
|
162
|
+
|
163
|
+
# Drug_Reference:
|
164
|
+
Not Available
|
165
|
+
|
166
|
+
# Organisms_Affected:
|
167
|
+
Not Available
|
168
|
+
|
169
|
+
# Phase_1_Metabolizing_Enzyme:
|
170
|
+
Not Available
|
171
|
+
|
172
|
+
# Phase_1_Metabolizing_Enzyme_Sequence:
|
173
|
+
Not Available
|
174
|
+
|
175
|
+
# Phase_1_Enzyme_SwissProt_ID:
|
176
|
+
Not Available
|
177
|
+
|
178
|
+
//
|
179
|
+
|
180
|
+
# Drug_Target_1_Name:
|
181
|
+
Peroxisome Proliferator Activated Receptor G - Macaca mulatta (Rhesus macaque)
|
182
|
+
|
183
|
+
# Drug_Target_1_Gene_Name:
|
184
|
+
PPARG
|
185
|
+
|
186
|
+
# Drug_Target_1_Synonyms:
|
187
|
+
Peroxisome proliferator activated receptor gamma; PPAR-gamma
|
188
|
+
|
189
|
+
# Drug_Target_1_Protein_Sequence:
|
190
|
+
>Peroxisome Proliferator Activated Receptor G - Macaca mulatta (Rhesus macaque)
|
191
|
+
LNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVA
|
192
|
+
IRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFL
|
193
|
+
KSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPES
|
194
|
+
SQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
|
195
|
+
|
196
|
+
# Drug_Target_1_Number_of_Residues:
|
197
|
+
274
|
198
|
+
|
199
|
+
# Drug_Target_1_Molecular_Weight:
|
200
|
+
31284
|
201
|
+
|
202
|
+
# Drug_Target_1_Theoretical_pI:
|
203
|
+
5.98
|
204
|
+
|
205
|
+
# Drug_Target_1_GO_Classification:
|
206
|
+
>>>
|
207
|
+
Function: signal transducer activity
|
208
|
+
Function: receptor activity
|
209
|
+
Function: ligand-dependent nuclear receptor activity
|
210
|
+
Function: steroid hormone receptor activity
|
211
|
+
Function: binding
|
212
|
+
Function: nucleic acid binding
|
213
|
+
Function: transcription regulator activity
|
214
|
+
Function: DNA binding
|
215
|
+
Function: transcription factor activity
|
216
|
+
||
|
217
|
+
>>>
|
218
|
+
Process: physiological process
|
219
|
+
Process: regulation of biological process
|
220
|
+
Process: metabolism
|
221
|
+
Process: regulation of physiological process
|
222
|
+
Process: nucleobase, nucleoside, nucleotide and nucleic acid metabolism
|
223
|
+
Process: regulation of metabolism
|
224
|
+
Process: transcription
|
225
|
+
Process: regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism
|
226
|
+
Process: transcription, DNA-dependent
|
227
|
+
Process: regulation of transcription
|
228
|
+
Process: regulation of transcription, DNA-dependent
|
229
|
+
||
|
230
|
+
>>>
|
231
|
+
Component: organelle
|
232
|
+
Component: cell
|
233
|
+
Component: intracellular organelle
|
234
|
+
Component: membrane-bound organelle
|
235
|
+
Component: intracellular
|
236
|
+
Component: intracellular membrane-bound organelle
|
237
|
+
Component: nucleus
|
238
|
+
|
239
|
+
# Drug_Target_1_General_Function:
|
240
|
+
Not Available
|
241
|
+
|
242
|
+
# Drug_Target_1_Specific_Function:
|
243
|
+
Receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the receptor binds to a promoter element in the gene for acyl-CoA oxidase and activates its transcription. It therefore controls the peroxisomal beta-oxidation pathway of fatty acids. Key regulator of adipocyte differentiation and glucose homeostasis
|
244
|
+
|
245
|
+
# Drug_Target_1_Pathway:
|
246
|
+
Not Available
|
247
|
+
|
248
|
+
# Drug_Target_1_Reaction:
|
249
|
+
Not Available
|
250
|
+
|
251
|
+
# Drug_Target_1_Pfam_Domain_Function:
|
252
|
+
PF00104:Hormone_recep
|
253
|
+
PF00105:zf-C4
|
254
|
+
|
255
|
+
# Drug_Target_1_Signals:
|
256
|
+
None
|
257
|
+
|
258
|
+
# Drug_Target_1_Transmembrane_Regions:
|
259
|
+
None
|
260
|
+
|
261
|
+
# Drug_Target_1_Essentiality:
|
262
|
+
Not Available
|
263
|
+
|
264
|
+
# Drug_Target_1_GenBank_ID_Protein:
|
265
|
+
2645731
|
266
|
+
|
267
|
+
# Drug_Target_1_SwissProt_ID:
|
268
|
+
PPAT_MACMU (O18924)
|
269
|
+
|
270
|
+
# Drug_Target_1_PDB_ID:
|
271
|
+
1KNU
|
272
|
+
|
273
|
+
# Drug_Target_1_ThreeD_Structure_Image:
|
274
|
+
Not Available
|
275
|
+
|
276
|
+
# Drug_Target_1_ThreeD_Structure_Text:
|
277
|
+
Not Available
|
278
|
+
|
279
|
+
# Drug_Target_1_Cellular_Location:
|
280
|
+
Nuclear
|
281
|
+
|
282
|
+
# Drug_Target_1_Gene_Sequence:
|
283
|
+
>Peroxisome Proliferator Activated Receptor G - Macaca mulatta (Rhesus macaque), 1518 bp
|
284
|
+
ATGGGTGAAACTCTGGGAGATTCTCCTATTGACCCAGAAAGCGATTCCTTCACTGATACACTGTCTGCAA
|
285
|
+
ACATATCACAAGAAATTACCATGGTTGACACAGAGATGCCATTCTGGCCCACCAACTTTGGGATCAGCTC
|
286
|
+
CGTGGATCTCTCCGTAATGGACGACCACTCCCACTCCTTTGACATCAAGCCCTTCACTACTGTTGACTTC
|
287
|
+
TCCAGCATTTCTGCTCCACATTATGAAGACATTCCATTCACAAGAACAGATCCGATGGTTGCGGATTATA
|
288
|
+
AGTATGACCTGAAACTTCAAGAGTACCAAAGTGCAATCAAAGTGGAGCCTGCTTCTCCACCTTATTATTC
|
289
|
+
TGAGAAGACTCAGCTCTACAATAAGCCTCACGAAGAGCCTTCCAACTCCCTCATGGCAATCGAATGTCGT
|
290
|
+
GTCTGCGGAGATAAAGCTTCTGGATTCCACTATGGAGTTCATGCTTGTGAAGGATGCAAGGGTTTCTTCC
|
291
|
+
GGAGAACAATCAGATTGAAGCTTATCTATGACAGATGTGATCTTAACTGTCGGATCCACAAAAAAAGTAG
|
292
|
+
AAATAAATGTCAGTACTGTCGGTTTCAGAAATGCCTTGCAGTGGGGATGTCTCATAATGCCATCAGGTTT
|
293
|
+
GGGCGGATGCCACAAGCCGAGAAGGAGAAGCTGTTGGCGGAGATCTCCAGTGATATCGACCAGCTGAACC
|
294
|
+
CAGAGTCCGCTGACCTCCGGGCCCTGGCAAAACATTTGTATGACTCATACATAAAGTCCTTCCCGCTGAC
|
295
|
+
CAAAGCAAAGGCGAGGGCGATCTTGACAGGAAAGACAACAGACAAATCACCATTCGTTATCTATGACATG
|
296
|
+
AATTCCTTAATGATGGGAGAAGATAAAATCAAGTTCAAACACATCACCCCACTGCAGGAGCAGAGCAAAG
|
297
|
+
AGGTGGCCATCCGCATCTTTCAGGGCTGCCAGTTTCGCTCCGTGGAGGCTGTGCAGGAGATCACAGAGTA
|
298
|
+
TGCCAAAAGCATTCCTGGTTTCGTAAATCTTGACTTGAACGACCAAGTAACTCTCCTCAAATATGGAGTC
|
299
|
+
CATGAGATCATTTACACAATGCTGGCCTCCTTGATGAATAAAGATGGGGTTCTCATATCCGAGGGCCAAG
|
300
|
+
GCTTCATGACAAGGGAATTTCTAAAGAGCCTGCGAAAGCCTTTTGGTGACTTTATGGAGCCCAAGTTTGA
|
301
|
+
GTTTGCTGTGAAGTTCAATGCACTGGAATTAGATGACAGCGACTTGGCAATATTTATTGCTGTCATTATT
|
302
|
+
CTCAGTGGAGATCGCCCAGGTTTGCTGAATGTGAAGCCCATTGAAGACATTCAAGACAACCTGCTACAAG
|
303
|
+
CCCTGGAGCTCCAGCTGAAGCTGAACCACCCTGAGTCCTCGCAGCTGTTTGCCAAGCTGCTCCAGAAAAT
|
304
|
+
GACAGACCTCAGACAGATTGTCACGGAACACGTGCAGCTACTGCAGGTGATCAAGAAGACGGAGACAGAC
|
305
|
+
ATGAGTCTTCACCCGCTCCTGCAGGAGATCTACAAGGACTTGTACTAG
|
306
|
+
|
307
|
+
# Drug_Target_1_GenBank_ID_Gene:
|
308
|
+
AF033103
|
309
|
+
|
310
|
+
# Drug_Target_1_Chromosome_Location:
|
311
|
+
Not Applicable
|
312
|
+
|
313
|
+
# Drug_Target_1_Locus:
|
314
|
+
Not Applicable
|
315
|
+
|
316
|
+
# Drug_Target_1_SNPs:
|
317
|
+
Not Applicable
|
318
|
+
|
319
|
+
# Drug_Target_1_References:
|
320
|
+
9806316
|
321
|
+
|