Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 9
Ligand
BDBM393570
Substrate
n/a
Meas. Tech.
ChEMBL_1572912 (CHEMBL3801235)
Ki
18±n/a nM
Citation
 Kalindjian, SB; Kadnur, SV; Hewson, CA; Venkateshappa, C; Juluri, S; Kristam, R; Kulkarni, B; Mohammed, Z; Saxena, R; Viswanadhan, VN; Aiyar, J; McVey, D A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease. J Med Chem 59:3098-111 (2016) [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:
BDBM393570
Synonyms:
US9969687, Compound 242
Type:
Small organic molecule
Emp. Form.:
C25H24ClN3O5S
Mol. Mass.:
513.993
SMILES:
COc1cncc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c1C
Structure:
Search PDB for entries with ligand similarity: