Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 7
Ligand
BDBM50306033
Substrate
n/a
Meas. Tech.
ChEMBL_1843869 (CHEMBL4344296)
IC50
3.1±n/a nM
Citation
 Romero, FA; Jones, CT; Xu, Y; Fenaux, M; Halcomb, RL The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease. J Med Chem 63:5031-5073 (2020) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 7
Synonyms:
CCR7 | CCR7_HUMAN | CMKBR7 | EBI1 | EVI1
Type:
PROTEIN
Mol. Mass.:
42885.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_338819
Residue:
378
Sequence:
MDLGKPMKSVLVVALLVIFQVCLCQDEVTDDYIGDNTTVDYTLFESLCSKKDVRNFKAWFLPIMYSIICFVGLLGNGLVVLTYIYFKRLKTMTDTYLLNLAVADILFLLTLPFWAYSAAKSWVFGVHFCKLIFAIYKMSFFSGMLLLLCISIDRYVAIVQAVSAHRHRARVLLISKLSCVGIWILATVLSIPELLYSDLQRSSSEQAMRCSLITEHVEAFITIQVAQMVIGFLVPLLAMSFCYLVIIRTLLQARNFERNKAIKVIIAVVVVFIVFQLPYNGVVLAQTVANFNITSSTCELSKQLNIAYDVTYSLACVRCCVNPFLYAFIGVKFRNDLFKLFKDLGCLSQEQLRQWSSCRHIRRSSMSVEAETTTTFSP
  
Inhibitor
Name:
BDBM50306033
Synonyms:
Cenicriviroc | TAK-652 | TBR-652
Type:
Small organic molecule
Emp. Form.:
C41H52N4O4S
Mol. Mass.:
696.941
SMILES:
CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@+]([O-])Cc1cncn1CCC |r,c:27|
Structure:
Search PDB for entries with ligand similarity: