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Target
C-X-C chemokine receptor type 3
Ligand
BDBM208744
Substrate
n/a
Meas. Tech.
ChEMBL_2216909 (CHEMBL5130041)
IC50
2.7±n/a nM
Citation
 Caroff, E; Meyer, EA; Äänismaa, P; Froidevaux, S; Keller, M; Piali, L Design, Synthesis, and Pharmacological Evaluation of Benzimidazolo-thiazoles as Potent CXCR3 Antagonists with Therapeutic Potential in Autoimmune Diseases: Discovery of ACT-672125. J Med Chem 65:11533-11549 (2022) [PubMed] 
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:
BDBM208744
Synonyms:
US9266876, 211
Type:
Small organic molecule
Emp. Form.:
C25H29F3N8OS
Mol. Mass.:
546.611
SMILES:
C[C@@H]1CN(CCN1C(=O)Cn1cc(CN(C)C)c(C)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Structure:
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