Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50153762
Substrate
n/a
Meas. Tech.
ChEMBL_312816 (CHEMBL824893)
IC50
5500±n/a nM
Citation
 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Three new compounds from the plant Lippia alva as inhibitors of chemokine receptor 5 (CCR5). Bioorg Med Chem Lett 14:5339-42 (2004) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor
Type:
Enzyme
Mol. Mass.:
40540.21
Organism:
Homo sapiens (Human)
Description:
P51681
Residue:
352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM50153762
Synonyms:
3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester | CHEMBL359986 | CHEMBL366260
Type:
Small organic molecule
Emp. Form.:
C22H24O7
Mol. Mass.:
400.4218
SMILES:
COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 |w:6.5,c:23|
Structure:
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