Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM228191
Substrate
n/a
Meas. Tech.
FLIPR Assay
pH
7.4±n/a
IC50
4.60±n/a nM
Comments
extracted
Citation
 Caroff, E; Meyer, E (R)-2-methyl-piperazine derivatives as CXCR3 receptor modulators US Patent  US10047080 Publication Date 8/14/2018 
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:
BDBM228191
Synonyms:
2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(2-cyclopropyl-pyrimidin-5-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl}-ethanone | US10047080, 17
Type:
Small organic molecule
Emp. Form.:
C25H30F3N7OS
Mol. Mass.:
533.612
SMILES:
CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(cc1-c1cnc(nc1)C1CC1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: