Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetC-C chemokine receptor type 5
LigandBDBM50145681
Substrate/Competitorn/a
Meas. Tech.ChEMBL_39636
Ki 1.4±n/a nM
Citation Tagat, JRMcCombie, SWNazareno, DLabroli, MAXiao, YSteensma, RWStrizki, JMBaroudy, BMCox, KLachowicz, JVarty, GWatkins, R Piperazine-based CCR5 antagonists as HIV-1 inhibitors. IV. Discovery of 1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]- 4-[4-[2-methoxy-1(R)-4-(trifluoromethyl)phenyl]ethyl-3(S)-methyl-1-piperazinyl]- 4-methylpiperidine (Sch-417690/Sch-D), a potent, highly selective, and orally bioavailable CCR5 antagoni J Med Chem47:2405-8 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
C-C chemokine receptor type 5
Name:CCR5/mu opioid receptor complex
Synonyms:C-C CKR-5 | CC-CKR-5 | CCR-5 | CCR5/mu opioid receptor complex | CD_antigen=CD195 | CHEMR13 | HIV-1 fusion coreceptor
Type:Enzyme
Mol. Mass.:40540.21
Organism:Homo sapiens (Human)
Description:P51681
Residue:352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50145681
NameBDBM50145681
Synonyms:(4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-2-phenyl-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone | CHEMBL79061
TypeSmall organic molecule
Emp. Form.C33H40F3N5O
Mol. Mass.579.6988
SMILESC[C@H]1CN(CCN1[C@@H](Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a