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Target
C-C chemokine receptor type 9
Ligand
BDBM50113439
Substrate
n/a
Meas. Tech.
ChEMBL_1510357 (CHEMBL3607107)
IC50
1750±n/a nM
Citation
 Zhang, J; Romero, J; Chan, A; Goss, J; Stucka, S; Cross, J; Chamberlain, B; Varoglu, M; Chandonnet, H; Ryan, D; Lippa, B Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease. Bioorg Med Chem Lett 25:3661-4 (2015) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 9
Synonyms:
CCR9 | CCR9_HUMAN | GPR28
Type:
PROTEIN
Mol. Mass.:
42023.90
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1510356
Residue:
369
Sequence:
MTPTDFTSPIPNMADDYGSESTSSMEDYVNFNFTDFYCEKNNVRQFASHFLPPLYWLVFIVGALGNSLVILVYWYCTRVKTMTDMFLLNLAIADLLFLVTLPFWAIAAADQWKFQTFMCKVVNSMYKMNFYSCVLLIMCISVDRYIAIAQAMRAHTWREKRLLYSKMVCFTIWVLAAALCIPEILYSQIKEESGIAICTMVYPSDESTKLKSAVLTLKVILGFFLPFVVMACCYTIIIHTLIQAKKSSKHKALKVTITVLTVFVLSQFPYNCILLVQTIDAYAMFISNCAVSTNIDICFQVTQTIAFFHSCLNPVLYVFVGERFRRDLVKTLKNLGCISQAQWVSFTRREGSLKLSSMLLETTSGALSL
  
Inhibitor
Name:
BDBM50113439
Synonyms:
CHEMBL3604481
Type:
Small organic molecule
Emp. Form.:
C21H21ClN2O4S
Mol. Mass.:
432.92
SMILES:
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1c(O)ccc[n+]1[O-] |(3.74,.93,;2.67,1.54,;2.67,2.77,;3.73,2.16,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;-2.67,-1.54,;-2.67,-2.77,;-3.73,-2.16,;-4,-.77,;-5.34,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-8,-3.09,;-9.07,-3.7,;-8,-1.55,;-6.67,-.77,;-6.68,.77,;-5.35,1.54,;-4.28,.93,;-5.35,3.08,;-6.69,3.85,;-8.02,3.07,;-8.01,1.53,;-9.08,.91,)|
Structure:
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