Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50310488
Substrate
n/a
Meas. Tech.
ChEMBL_799099 (CHEMBL1942040)
IC50
14±n/a nM
Citation
 Chen, X; Mihalic, J; Deignan, J; Gustin, DJ; Duquette, J; Du, X; Chan, J; Fu, Z; Johnson, M; Li, AR; Henne, K; Sullivan, T; Lemon, B; Ma, J; Miao, S; Tonn, G; Collins, T; Medina, JC Discovery of potent and specific CXCR3 antagonists. Bioorg Med Chem Lett 22:357-62 (2011) [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:
BDBM50310488
Synonyms:
(R)-3-((N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-2-(4-(trifluoromethoxy)phenyl)acetamido)methyl)pyridine 1-oxide | CHEMBL1077832
Type:
Small organic molecule
Emp. Form.:
C32H28F3N5O5
Mol. Mass.:
619.5904
SMILES:
CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1ccc[n+]([O-])c1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: