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Target
C-C chemokine receptor type 5
Ligand
BDBM50184401
Substrate
n/a
Meas. Tech.
ChEMBL_338784 (CHEMBL860618)
IC50
4.7±n/a nM
Citation
 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Highly potent and orally active CCR5 antagonists as anti-HIV-1 agents: synthesis and biological activities of 1-benzazocine derivatives containing a sulfoxide moiety. J Med Chem 49:2037-48 (2006) [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:
BDBM50184401
Synonyms:
(S)-(-)-9-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazonine-6-carboxamide | CHEMBL205021
Type:
Small organic molecule
Emp. Form.:
C41H52N4O4S
Mol. Mass.:
696.941
SMILES:
CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC |w:27.28|
Structure:
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