Structure of PDB 9d3g Chain A Binding Site BS03 |
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| Ligand ID | A1A2A |
| InChI | InChI=1S/C24H25ClN2O3/c25-19-7-5-18(6-8-19)24(9-10-24)23(29)26-13-21-14-27(22(28)15-30-21)20-11-16-3-1-2-4-17(16)12-20/h1-8,20-21H,9-15H2,(H,26,29)/t21-/m1/s1 |
| InChIKey | ZDCUVQHVRIOGTN-OAQYLSRUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)CC(C2)N3C[C@H](OCC3=O)CNC(=O)C4(CC4)c5ccc(cc5)Cl | | CACTVS 3.385 | Clc1ccc(cc1)C2(CC2)C(=O)NC[C@@H]3CN(C4Cc5ccccc5C4)C(=O)CO3 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)CC(C2)N3CC(OCC3=O)CNC(=O)C4(CC4)c5ccc(cc5)Cl | | ACDLabs 12.01 | O=C1COC(CN1C1Cc2ccccc2C1)CNC(=O)C1(CC1)c1ccc(Cl)cc1 | | CACTVS 3.385 | Clc1ccc(cc1)C2(CC2)C(=O)NC[CH]3CN(C4Cc5ccccc5C4)C(=O)CO3 |
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| Formula | C24 H25 Cl N2 O3 |
| Name | 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide |
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| PDB chain | 9d3g Chain A Residue 1003
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