Covpdb









Ligand
Ligand Name:   FT827
Ligand Type:   non-polymer
Ligand ID:   COVPDB409 PubChem:   121435663
Synonym(s):  
  •   1959537-86-0
  • n-(4'-(4-hydroxy-4-((1-methyl-4-oxo-1,4-dihydro-5h-pyrazolo[3,4-d]pyrimidin-5-yl)methyl)piperidine-1-carbonyl)-[1,1'-biphenyl]-2-yl)ethenesulfonamide
  • ft-827
  • schembl17868922
  • hy-111350
  • cs-0039475
show 5 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cn1ncc(c12)c(=O)n(cn2)CC3(O)CCN(CC3)C(=O)c4ccc(cc4)-c5ccccc5NS(=O)(=O)C=C
Standard InChI:   InChI=1S/C27H28N6O5S/c1-3-39(37,38)30-23-7-5-4-6-21(23)19-8-10-20(11-9-19)25(34)32-14-12-27(36,13-15-32)17-33-18-28-24-22(26(33)35)16-29-31(24)2/h3-11,16,18,30,36H,1,12-15,17H2,2H3
Molecular Formula:   C27H28N6O5S Mol. Weight:   548.1842 logP:   2.3495
HBD:   2 HBA:   9
#Rotatable Bonds:   7 TPSA:   139.42

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ubiquitin carboxyl-terminal hydrolase 7 Q93009 (UBP7_HUMAN) Homo sapiens (Human) 5NGF 8WN Kd : 7800 nM PDBBind SHOW