Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50167780
Substrate
n/a
Meas. Tech.
ChEMBL_306420 (CHEMBL828091)
IC50
10000±n/a nM
Citation
 Storelli, S; Verdijk, P; Verzijl, D; Timmerman, H; van de Stolpe, AC; Tensen, CP; Smit, MJ; De Esch, IJ; Leurs, R Synthesis and structure-activity relationship of 3-phenyl-3H-quinazolin-4-one derivatives as CXCR3 chemokine receptor antagonists. Bioorg Med Chem Lett 15:2910-3 (2005) [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:
BDBM50167780
Synonyms:
CHEMBL370482 | Decanoic acid {1-[3-(2-cyano-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-yl]-ethyl}-(2-dimethylamino-ethyl)-amide
Type:
Small organic molecule
Emp. Form.:
C31H41N5O2
Mol. Mass.:
515.6895
SMILES:
CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C#N |(12.7,-2.6,;11.37,-3.37,;10.04,-2.6,;8.71,-3.37,;7.37,-2.62,;6.04,-3.39,;4.71,-2.63,;3.37,-3.4,;2.04,-2.63,;.71,-3.4,;.71,-4.94,;-.63,-2.63,;-1.96,-3.41,;-3.31,-2.65,;-4.65,-3.42,;-4.63,-4.96,;-5.98,-2.65,;-.65,-1.08,;.69,-.31,;-1.98,-.33,;-3.31,-1.11,;-4.65,-.34,;-6,-1.11,;-7.33,-.34,;-7.33,1.21,;-6,1.98,;-4.65,1.21,;-3.34,1.99,;-3.34,3.55,;-1.99,1.23,;-.67,2,;.68,1.23,;2.01,2.01,;2,3.55,;.65,4.32,;-.67,3.55,;-1.77,4.65,;-2.87,5.74,)|
Structure:
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