Target
C-X-C chemokine receptor type 3
Ligand
BDBM50227869
Substrate
n/a
Meas. Tech.
ChEMBL_461631 (CHEMBL928749)
Ki
27±n/a nM
Citation
 Watson, RJAllen, DRBirch, HLChapman, GAGalvin, FCJopling, LAKnight, RLMeier, DOliver, KMeissner, JWOwen, DAThomas, EJTremayne, NWilliams, SC Development of CXCR3 antagonists. Part 3: Tropenyl and homotropenyl-piperidine urea derivatives. Bioorg Med Chem Lett 18:147-51 (2008) [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:
BDBM50227869
Synonyms:
1-[1-(8-acetyl-8-aza-bicyclo[3.2.1]oct-2-en-3-ylmethyl)-piperidin-4-yl]-3-(3-fluoro-5-trifluoromethyl-phenyl)-urea | CHEMBL403267
Type:
Small organic molecule
Emp. Form.:
C23H28F4N4O2
Mol. Mass.:
468.4876
SMILES:
CC(=O)N1C2CCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.35,7.8,t:9|
Structure:
Search PDB for entries with ligand similarity: