Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L6WPA2
|
|||
| Ligand Name |
8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid
|
|||
| Synonyms |
8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid; CHEMBL5084175; SCHEMBL15924282; BDBM215010; US9540377, 2.7; 1GI; 8-(1-benzo- thiophen-5-yl)- 7-(4-chloro- benzyl)-6- {[(1r)-1- cyclopropyl- ethyl]amino}- 7h-purine-2- carboxylic acid
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C26H22ClN5O2S
|
|||
| Canonical SMILES |
CC(C1CC1)NC2=NC(=NC3=C2N(C(=N3)C4=CC5=C(C=C4)SC=C5)CC6=CC=C(C=C6)Cl)C(=O)O
|
|||
| InChI |
1S/C26H22ClN5O2S/c1-14(16-4-5-16)28-22-21-23(30-24(29-22)26(33)34)31-25(18-6-9-20-17(12-18)10-11-35-20)32(21)13-15-2-7-19(27)8-3-15/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,33,34)(H,28,29,30)/t14-/m1/s1
|
|||
| InChIKey |
VYDVBUHEXZQWED-CQSZACIVSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.