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TargetC-C chemokine receptor type 5
LigandBDBM50318428
Substrate/Competitorn/a
Meas. Tech.ChEMBL_630265 (CHEMBL1106474)
IC50 12±n/a nM
Citation Rotstein, DMMelville, CRPadilla, FCournoyer, DLee, EKLemoine, RPetersen, ACSetti, LQWanner, JChen, LFilonova, LLoughhead, DGManka, JLin, XFGleason, SSankuratri, SJi, CDerosier, ADioszegi, MHeilek, GJekle, ABerry, PMau, CIWeller, P Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett20:3116-9 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
C-C chemokine receptor type 5
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:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50318428
n/a
NameBDBM50318428
Synonyms:2-(4,4-difluorocyclohexyl)-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)acetamide | CHEMBL1098357
TypeSmall organic molecule
Emp. Form.C30H38F3N5O2
Mol. Mass.557.6502
SMILESCc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 |r|
Structure
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