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Target
C-C chemokine receptor type 5
Ligand
BDBM50322286
Substrate
n/a
Meas. Tech.
ChEMBL_642602 (CHEMBL1176491)
IC50
40±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 Discovery of orally available spirodiketopiperazine-based CCR5 antagonists. Bioorg Med Chem 18:5208-23 (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:
BDBM50322286
Synonyms:
CHEMBL1170876 | N-[4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)phenyl]methanesulfonamide hydrochloride
Type:
Small organic molecule
Emp. Form.:
C33H46N4O5S
Mol. Mass.:
610.807
SMILES:
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1 |r|
Structure:
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