Ligand
Ligand Name:   4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
Ligand Type:   non-polymer
Ligand ID:   COVPDB1193 PubChem:   11471738
Synonym(s):  
  •   chembl1084679
  • schembl6236491
  • bdbm50313480
  • q27464180
  • 4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triazine-2-carbonitrile
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1084679
Canonical SMILES:   N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1
Standard InChI:   InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
Molecular Formula:   C14H21N7 Mol. Weight:   287.18585 logP:   0.89748
HBD:   2 HBA:   7
#Rotatable Bonds:   3 TPSA:   89.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cathepsin K P43235 (CATK_HUMAN) Homo sapiens (Human) 3KW9 ORG IC50 : 1 nM PDBBind SHOW
Cathepsin K P43235 (CATK_HUMAN) Homo sapiens (Human) 3KW9 ORG IC50 : 1 nM BindingDB SHOW