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Target
C-C chemokine receptor type 5
Ligand
BDBM50190513
Substrate
n/a
Meas. Tech.
ChEMBL_605716 (CHEMBL1072596)
IC50
50±n/a nM
Citation
 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Spirodiketopiperazine-based CCR5 antagonists: Improvement of their pharmacokinetic profiles. Bioorg Med Chem Lett 20:763-6 (2010) [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:
BDBM50190513
Synonyms:
(RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride | 9-(1,4-benzodioxane-6-yl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride | CHEMBL556798
Type:
Small organic molecule
Emp. Form.:
C28H41N3O4
Mol. Mass.:
483.6428
SMILES:
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Structure:
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