Ligand
Ligand Name:   3‐(7‐amino‐5‐(cyclohexylamino)‐[1,2,4]triazolo[1,5‐a][1,3,5]triazin‐2‐yl)‐2‐cyanoacrylamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB802 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   NC(=O)/C(C#N)=C\c(n1)nc(n12)nc(nc2N)NC3CCCCC3
Standard InChI:   InChI=1S/C14H17N9O/c15-7-8(11(16)24)6-10-19-14-21-13(20-12(17)23(14)22-10)18-9-4-2-1-3-5-9/h6,9H,1-5H2,(H2,16,24)(H3,17,18,19,20,21,22)/b8-6-
Molecular Formula:   C14H17N9O Mol. Weight:   327.1556 logP:   0.23838
HBD:   3 HBA:   9
#Rotatable Bonds:   4 TPSA:   160.9

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Glycogen synthase kinase-3 beta P49841 (GSK3B_HUMAN) Homo sapiens (Human) 6H0U FKB
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