Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50227861
Substrate
n/a
Meas. Tech.
ChEMBL_461631 (CHEMBL928749)
Ki
10±n/a nM
Citation
 Watson, RJ; Allen, DR; Birch, HL; Chapman, GA; Galvin, FC; Jopling, LA; Knight, RL; Meier, D; Oliver, K; Meissner, JW; Owen, DA; Thomas, EJ; Tremayne, N; Williams, 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:
BDBM50227861
Synonyms:
1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((9-pivaloyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)urea | CHEMBL253733
Type:
Small organic molecule
Emp. Form.:
C27H36F4N4O2
Mol. Mass.:
524.594
SMILES:
CC(C)(C)C(=O)N1C2CCCC1C=C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:7.39,11.12,t:13,TLB:4:6:13.36.12:10.8.9|
Structure:
Search PDB for entries with ligand similarity: