Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50301339
Substrate
n/a
Meas. Tech.
ChEMBL_599488 (CHEMBL1049024)
Ki
320±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:
BDBM50301339
Synonyms:
5-chloro-6-(4-(1-(4-cyanobenzoyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide | CHEMBL570356
Type:
Small organic molecule
Emp. Form.:
C31H33ClN6O3
Mol. Mass.:
573.085
SMILES:
Clc1cc(cnc1N1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(=O)NCCOc1ccccc1
Structure:
Search PDB for entries with ligand similarity: