Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM166584
Substrate
n/a
Meas. Tech.
Competition Radioligand Binding Assay
IC50
3000±n/a nM
Citation
 Bata, I; Buzder-Lantos, P; Vasas, A; Bartane Bodor, V; Ferenczy, G; Tomoskozi, Z; Szeleczky, G; Batori, S; Smrcina, M; Patek, M; Weichsel, A; Thorpe, DS Cycloalkane carboxylic acid derivatives as CXCR3 receptor antagonists US Patent  US9073853 Publication Date 7/7/2015 
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:
BDBM166584
Synonyms:
US9073853, 143
Type:
Small organic molecule
Emp. Form.:
C28H33ClN2O4
Mol. Mass.:
497.026
SMILES:
C[C@@H](N(Cc1ccc(CCCN2C(=O)CCC2=O)c(C)c1)[C@H]1C[C@H](C1)C(O)=O)c1ccc(Cl)cc1 |r,wU:21.22,23.27,wD:1.0,(-4.52,-4.17,;-4.52,-2.63,;-3.19,-1.86,;-1.85,-2.63,;-.52,-1.86,;-.52,-.32,;.82,.45,;2.15,-.32,;3.48,.45,;4.82,-.32,;6.15,.45,;7.48,-.32,;7.48,-1.86,;6.15,-2.63,;8.95,-2.33,;9.85,-1.09,;8.95,.16,;9.35,1.64,;2.15,-1.86,;3.48,-2.63,;.82,-2.63,;-3.19,-.32,;-4.27,.77,;-3.19,1.86,;-2.1,.77,;-3.19,3.4,;-4.52,4.17,;-1.85,4.17,;-5.85,-1.86,;-5.85,-.32,;-7.19,.45,;-8.52,-.32,;-9.85,.45,;-8.52,-1.86,;-7.19,-2.63,)|
Structure:
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