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Target
C-X-C chemokine receptor type 6
Ligand
BDBM50539423
Substrate
n/a
Meas. Tech.
ChEMBL_1978131 (CHEMBL4611266)
IC50
5800±n/a nM
Citation
 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Discovery of small molecule antagonists of chemokine receptor CXCR6 that arrest tumor growth in SK-HEP-1 mouse xenografts as a model of hepatocellular carcinoma. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 6
Synonyms:
BONZO | C-X-C chemokine receptor type 6 | CD_antigen=CD186 | CDw186 | CXC-R6 | CXCR-6 | CXCR6 | CXCR6_HUMAN | G-protein coupled receptor STRL33 | G-protein coupled receptor bonzo | STRL33 | TYMSTR
Type:
PROTEIN
Mol. Mass.:
39289.05
Organism:
Homo sapiens
Description:
ChEMBL_102648
Residue:
342
Sequence:
MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL
  
Inhibitor
Name:
BDBM50539423
Synonyms:
CHEMBL4648327
Type:
Small organic molecule
Emp. Form.:
C26H33N3O5
Mol. Mass.:
467.5573
SMILES:
[H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1 |r,TLB:10:8:25:4.2.3|
Structure:
Search PDB for entries with ligand similarity: