Ligand
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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