Ligand
Ligand Name:   N-[3-(1-{[4-(5-methyl-6-oxo-3-phenyl-1,6-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]prop-2-enamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1044 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1nc(-c2ccccc2)c([nH]c1=O)-c1ccc(CN2CCC(CC2)n2c3cc(NC(=O)C=C)ccc3[nH]c2=O)cc1
Standard InChI:   InChI=1S/C33H32N6O3/c1-3-29(40)35-25-13-14-27-28(19-25)39(33(42)36-27)26-15-17-38(18-16-26)20-22-9-11-24(12-10-22)31-30(23-7-5-4-6-8-23)34-21(2)32(41)37-31/h3-14,19,26H,1,15-18,20H2,2H3,(H,35,40)(H,36,42)(H,37,41)
Molecular Formula:   C33H32N6O3 Mol. Weight:   560.2536 logP:   5.01692
HBD:   3 HBA:   6
#Rotatable Bonds:   7 TPSA:   115.88

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
RAC-alpha serine/threonine-protein kinase P31749 (AKT1_HUMAN) Homo sapiens (Human) 6S9W L1Z
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