Structure of PDB 1p01 Chain A Binding Site BS01 |
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| Ligand ID | 0EG |
| InChI | InChI=1S/C17H32BN3O6/c1-10(2)13(18(25)26)20-14(22)12-8-7-9-21(12)15(23)11(3)19-16(24)27-17(4,5)6/h10-13,25-26H,7-9H2,1-6H3,(H,19,24)(H,20,22)/t11-,12-,13-/m0/s1 |
| InChIKey | VWVBZPYREZAAER-AVGNSLFASA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | CC(C)[CH](NC(=O)[CH]1CCCN1C(=O)[CH](C)NC(=O)OC(C)(C)C)B(O)O | | ACDLabs 10.04 | O=C(NC(B(O)O)C(C)C)C1N(C(=O)C(NC(=O)OC(C)(C)C)C)CCC1 | | CACTVS 3.341 | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)B(O)O |
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| Formula | C17 H32 B N3 O6 |
| Name | N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide;
N-tert-butyloxycarbonylalanylprolylvaline boronic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1p01 Chain A Residue 4
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