Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 3
Ligand
BDBM50088301
Substrate
n/a
Meas. Tech.
ChEMBL_39480 (CHEMBL650590)
IC50
>10000±n/a nM
Citation
 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety. J Med Chem 43:2049-63 (2000) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 3
Synonyms:
C-C CKR-3 | C-C chemokine receptor type 3 (CCR3) | CC-CKR-3 | CCR-3 | CCR3 | CCR3_HUMAN | CD_antigen=CD193 | CKR3 | CMKBR3 | Eosinophil eotaxin receptor
Type:
Enzyme
Mol. Mass.:
41053.88
Organism:
Homo sapiens (Human)
Description:
P51677
Residue:
355
Sequence:
MTTSLDTVETFGTTSYYDDVGLLCEKADTRALMAQFVPPLYSLVFTVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLVTLPFWIHYVRGHNWVFGHGMCKLLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIVTWGLAVLAALPEFIFYETEELFEETLCSALYPEDTVYSWRHFHTLRMTIFCLVLPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILLSSYQSILFGNDCERSKHLDLVMLVTEVIAYSHCCMNPVIYAFVGERFRKYLRHFFHRHLLMHLGRYIPFLPSEKLERTSSVSPSTAEPELSIVF
  
Inhibitor
Name:
BDBM50088301
Synonyms:
(E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride | (TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | CHEMBL41275 | CHEMBL64322 | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779) | N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride | TAK-779
Type:
Small organic molecule
Emp. Form.:
C33H39N2O2
Mol. Mass.:
495.6744
SMILES:
Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Structure:
Search PDB for entries with ligand similarity: