Ligand |
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| Ligand Name: [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | ||
| HET ID: EW1 | PubChem: 132471754 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1nc(N)c2c(c1)n(cn2)[C@@H]1CN(C1)C(=O)c1ccn(c1)C[C@@H]1CCN(CC1)[C@@H]1CCCCC=C1 | ||
| Standard InChI: InChI=1S/C28H37N7O/c1-20-14-25-26(27(29)31-20)30-19-35(25)24-17-34(18-24)28(36)22-10-11-32(16-22)15-21-8-12-33(13-9-21)23-6-4-2-3-5-7-23/h4,6,10-11,14,16,19,21,23-24H,2-3,5,7-9,12-13,15,17-18H2,1H3,(H2,29,31)/t23-/m0/s1 | ||
| Molecular Formula: C28H37N7O | Mol. Weight: 487.63968 | Heavy Atoms: 36 |
| Charge: 0 | Is Chiral: True | logP: 4.4883 |
| HBD: 1 | HBA: 8 | TPSA: 85.21 |
| #Bonds: 44 | #Rotatable Bonds: 6 | Shape Complexity: 0.53571427 |
| Stereocomplexity: 0.14285715 | Ligand Type: Small Molecule | |
Binding Affinity |
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