Ligand
Ligand Name:   (S)-aziridin-2-yl(4-(6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl)piperazin-1-yl)methanone
Ligand Type:   non-polymer
Ligand ID:   COVPDB413 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)[C@@H]1CN1
Standard InChI:   InChI=1S/C23H21ClFN7O/c1-12-2-3-16-14(9-29-30-16)18(12)19-15(24)8-13-21(20(19)25)27-11-28-22(13)31-4-6-32(7-5-31)23(33)17-10-26-17/h2-3,8-9,11,17,26H,4-7,10H2,1H3,(H,29,30)/t17-/m0/s1
Molecular Formula:   C23H21ClFN7O Mol. Weight:   465.148 logP:   2.89442
HBD:   2 HBA:   6
#Rotatable Bonds:   3 TPSA:   99.95

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) 5V6V 8YA
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