Ligand |
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Ligand Name: (2S,3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-(prop-2-enoyl)pyrrolidine-2-carboxamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB577 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: O[C@@H]1CCN(C(=O)C=C)[C@@H]1C(=O)Nc(c2)ccc(c23)cc(Br)cc3 | ||
Standard InChI: InChI=1S/C18H17BrN2O3/c1-2-16(23)21-8-7-15(22)17(21)18(24)20-14-6-4-11-9-13(19)5-3-12(11)10-14/h2-6,9-10,15,17,22H,1,7-8H2,(H,20,24)/t15-,17+/m1/s1 | ||
Molecular Formula: C18H17BrN2O3 | Mol. Weight: 388.04227 | logP: 2.6886 |
HBD: 2 | HBA: 3 | |
#Rotatable Bonds: 3 | TPSA: 69.64 |
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) | 6ARK | BQD |
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SHOW |