Ligand |
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| Ligand Name: AMG 510 | ||
| Canonical SMILES: Fc1cccc(O)c1-c(n2)c(F)cc(c23)c(N4CCN(C[C@@H]4C)C(=O)C=C)nc(=O)n3-c5c(C)ccnc5C(C)C | ||
| Standard InChI: InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1 | ||
| HET Code: MOV | PubChem: 137278711 | |
| DrugBank: DB15569 | ChEMBL: CHEMBL4535757 | |
| Molecular Formula: C30H30F2N6O3 | Mol. Weight: 560.23474 | logP: 4.48142 |
| HBD: 1 | HBA: 8 | |
| #Rotatable Bonds: 5 | TPSA: 104.45 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Michael Addition | CYS 12 | A | 112.47 | 10.51 | Vinyl Carbonyl |  |
Binding Affinity |
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