Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50301326
Substrate
n/a
Meas. Tech.
ChEMBL_599488 (CHEMBL1049024)
Ki
90±n/a nM
Citation
 McGuinness, BF; Carroll, CD; Zawacki, LG; Dong, G; Yang, C; Hobbs, DW; Jacob-Samuel, B; Hall, JW; Jenh, CH; Kozlowski, JA; Anilkumar, GN; Rosenblum, SB Novel CXCR3 antagonists with a piperazinyl-piperidine core. Bioorg Med Chem Lett 19:5205-8 (2009) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 3
Synonyms:
AAO92295.1 | C-X-C chemokine receptor type 3 | C-X-C chemokine receptor type 3 (CXCR3) | C-X-C chemokine receptor type 3 (CXCR3A) | CXCR3 | CXCR3A | CXCR3_HUMAN | GPR9 | chemokine (C-X-C motif) receptor 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
40665.65
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
368
Sequence:
MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL
  
Inhibitor
Name:
BDBM50301326
Synonyms:
5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(4-fluorobenzyl)nicotinamide | CHEMBL565980
Type:
Small organic molecule
Emp. Form.:
C30H32ClFN6O
Mol. Mass.:
547.066
SMILES:
Fc1ccc(CNC(=O)c2cnc(N3CCN(CC3)C3CCN(Cc4ccc(cc4)C#N)CC3)c(Cl)c2)cc1
Structure:
Search PDB for entries with ligand similarity: