Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50310481
Substrate
n/a
Meas. Tech.
ChEMBL_619410 (CHEMBL1104168)
IC50
2±n/a nM
Citation
 Liu, J; Fu, Z; Li, AR; Johnson, M; Zhu, L; Marcus, A; Danao, J; Sullivan, T; Tonn, G; Collins, T; Medina, J Optimization of a series of quinazolinone-derived antagonists of CXCR3. Bioorg Med Chem Lett 19:5114-8 (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:
BDBM50310481
Synonyms:
CHEMBL1077826 | N-((R)-1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-((R)-pyrrolidin-2-ylmethyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C31H31F4N5O3
Mol. Mass.:
597.6032
SMILES:
CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C[C@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: