Ligand
Ligand Name:   1-(4-(7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl)prop-2-en-1-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB1016 PubChem:   132162816
Synonym(s):  
  •   chembl4466927
  • schembl19636732
  • bdbm50507453
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4466927
Canonical SMILES:   C=CC(=O)N1CCN(CC1)c1ncnc2CN(CCc12)c1cccc2ccccc12
Standard InChI:   InChI=1S/C24H25N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h2-9,17H,1,10-16H2
Molecular Formula:   C24H25N5O Mol. Weight:   399.2059 logP:   3.0271
HBD:   0 HBA:   5
#Rotatable Bonds:   3 TPSA:   52.57

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) 6N2J K9M
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