Target
C-X-C chemokine receptor type 3
Ligand
BDBM50446651
Substrate
n/a
Meas. Tech.
ChEMBL_1290437 (CHEMBL3119548)
IC50
0.400000±n/a nM
Citation
 Nair, AGWong, MKShu, YJiang, YJenh, CHKim, SHYang, DYZeng, QShao, YZawacki, LGDuo, JMcGuinness, BFCarroll, CDHobbs, DWShih, NYRosenblum, SBKozlowski, JA IV. Discovery of CXCR3 antagonists substituted with heterocycles as amide surrogates: improved PK, hERG and metabolic profiles. Bioorg Med Chem Lett 24:1085-8 (2014) [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:
BDBM50446651
Synonyms:
CHEMBL3116476
Type:
Small organic molecule
Emp. Form.:
C25H32Cl2N8O
Mol. Mass.:
531.481
SMILES:
CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)-c1nnc(C)o1 |r|
Structure:
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