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| Ligand ID | A1H4A |
| InChI | InChI=1S/C35H37F3N6O7S/c1-23-7-8-24(20-28(23)35(36,37)38)27-19-25(34(47)48)21-42-22-29(40-31(27)42)33(46)44-14-13-43(52(49,50)26-5-3-2-4-6-26)11-9-30(44)32(45)39-10-12-41-15-17-51-18-16-41/h2-8,19-22,30H,9-18H2,1H3,(H,39,45)(H,47,48)/t30-/m0/s1 |
| InChIKey | CYRHEZSFDUZNDQ-PMERELPUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[C@H]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1C(F)(F)F)c2cc(cn3c2nc(c3)C(=O)N4CCN(CCC4C(=O)NCCN5CCOCC5)S(=O)(=O)c6ccccc6)C(=O)O | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1C(F)(F)F)c2cc(cn3c2nc(c3)C(=O)N4CCN(CC[C@H]4C(=O)NCCN5CCOCC5)S(=O)(=O)c6ccccc6)C(=O)O | | CACTVS 3.385 | Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[CH]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O |
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| Formula | C35 H37 F3 N6 O7 S |
| Name | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid;
LIPID FRAGMENT |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8rzb Chain A Residue 201
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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