Ligand |
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| Ligand Name: N-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-3,5-DIFLUORO-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDIN-4-YL]-N-METHYLGLYCINE | ||
| HET ID: Z34 | PubChem: 4322 | |
| DrugBank: - | ChEMBL: CHEMBL73193 | |
| Canonical SMILES: OC(=O)CN(c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(c1F)Oc1cc(ccc1O)C(=N)N)C | ||
| Standard InChI: InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36) | ||
| Molecular Formula: C25H24F2N6O5 | Mol. Weight: 526.49207 | Heavy Atoms: 38 |
| Charge: 0 | Is Chiral: False | logP: 3.3204 |
| HBD: 4 | HBA: 11 | TPSA: 157.59 |
| #Bonds: 41 | #Rotatable Bonds: 9 | Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Ki : 0.10999999940395355 nM |
| BindingDB | Ki : 0.10999999940395355 nM |
| Binding MOAD | Ki : 0.10999999940395355 nM |