Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 3
Ligand
BDBM50349639
Substrate
n/a
Meas. Tech.
ChEMBL_760043 (CHEMBL1810319)
IC50
305±n/a nM
Citation
 Thoma, G; Baenteli, R; Lewis, I; Jones, D; Kovarik, J; Streiff, MB; Zerwes, HG Special ergolines efficiently inhibit the chemokine receptor CXCR3 in blood. Bioorg Med Chem Lett 21:4745-9 (2011) [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:
BDBM50349639
Synonyms:
CHEMBL1808997
Type:
Small organic molecule
Emp. Form.:
C28H32N4O4
Mol. Mass.:
488.5781
SMILES:
COCCN(CCOC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:25|
Structure:
Search PDB for entries with ligand similarity: