Ligand
Ligand Name:   N-[5-bromo-2-({[1-(prop-2-enoyl)azetidin-3-yl]carbamoyl}methoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1168 PubChem:   155521136
Synonym(s):  
  •   chembl4450321
DrugBank:   - ChEMBL:   CHEMBL4450321
Canonical SMILES:   Cc1cc(on1)C(=O)Nc2cc(Br)ccc2OCC(=O)NC3CN(C3)C(=O)C=C
Standard InChI:   InChI=1S/C19H19BrN4O5/c1-3-18(26)24-8-13(9-24)21-17(25)10-28-15-5-4-12(20)7-14(15)22-19(27)16-6-11(2)23-29-16/h3-7,13H,1,8-10H2,2H3,(H,21,25)(H,22,27)
Molecular Formula:   C19H19BrN4O5 Mol. Weight:   462.0539 logP:   1.88962
HBD:   2 HBA:   6
#Rotatable Bonds:   7 TPSA:   113.77

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) 6P8W O67
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