Ligand |
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Ligand Name: JBI484 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB426 | PubChem: 118018848 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: Fc1ccccc1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C | ||
Standard InChI: InChI=1S/C21H17ClF2N4O/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)23)19(24)20(14)25-12-26-21/h2-6,11-12H,1,7-10H2 | ||
Molecular Formula: C21H17ClF2N4O | Mol. Weight: 414.1059 | logP: 4.063 |
HBD: 0 | HBA: 4 | |
#Rotatable Bonds: 3 | TPSA: 49.33 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
GTPase KRas | P01116 (RASK_HUMAN) | Homo sapiens (Human) | 5YXZ | 94C |
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