Ligand
Ligand Name:   3-{[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-[4-(prop-2-enoyl)piperazin-1-yl]quinazolin-2-yl]amino}-N,N-dimethylpropanamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB419 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN(C)C(=O)CCNc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc2n1)-c1cc(O)cc2ccccc12
Standard InChI:   InChI=1S/C30H31ClN6O3/c1-4-27(39)36-11-13-37(14-12-36)29-24-17-25(31)23(22-16-20(38)15-19-7-5-6-8-21(19)22)18-26(24)33-30(34-29)32-10-9-28(40)35(2)3/h4-8,15-18,38H,1,9-14H2,2-3H3,(H,32,33,34)
Molecular Formula:   C30H31ClN6O3 Mol. Weight:   558.2146 logP:   4.5338
HBD:   2 HBA:   7
#Rotatable Bonds:   7 TPSA:   101.9

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) 5V9O 91G
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