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Target
C-X-C chemokine receptor type 3
Ligand
BDBM50446641
Substrate
n/a
Meas. Tech.
ChEMBL_1290437 (CHEMBL3119548)
IC50
1.000000±n/a nM
Citation
 Nair, AG; Wong, MK; Shu, Y; Jiang, Y; Jenh, CH; Kim, SH; Yang, DY; Zeng, Q; Shao, Y; Zawacki, LG; Duo, J; McGuinness, BF; Carroll, CD; Hobbs, DW; Shih, NY; Rosenblum, SB; Kozlowski, 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:
BDBM50446641
Synonyms:
CHEMBL3116486
Type:
Small organic molecule
Emp. Form.:
C25H33Cl2N11O2
Mol. Mass.:
590.508
SMILES:
CCNc1nnc(o1)-c1nc(Cl)c(nc1N)N1CCN([C@@H](CC)C1)C1CCN(CC1)C(=O)c1ccc(Cl)nc1N |r|
Structure:
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