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GPCR

NameC-C chemokine receptor type 5
SpeciesMus musculus (Mouse)
GeneCcr5
SynonymCKR5
CHEMR13
chemokine (C-C motif) receptor 5 (gene/pseudogene)
CD195
CCR5
[ Show all ]
DiseaseN/A for non-human GPCRs
Length354
Amino acid sequenceMDFQGSVPTYSYDIDYGMSAPCQKINVKQIAAQLLPPLYSLVFIFGFVGNMMVFLILISCKKLKSVTDIYLLNLAISDLLFLLTLPFWAHYAANEWVFGNIMCKVFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKVRTVNFGVITSVVTWAVAVFASLPEIIFTRSQKEGFHYTCSPHFPHTQYHFWKSFQTLKMVILSLILPLLVMVICYSGILHTLFRCRNEKKRHRAVRLIFAIMIVYFLFWTPYNIVLLLTTFQEFFGLNNCSSSNRLDQAMQATETLGMTHCCLNPVIYAFVGEKFRSYLSVFFRKHMVKRFCKRCSIFQQDNPDRASSVYTRSTGEHEVSTGL
UniProtP51682
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3676
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL106982
Molecular formulaC28H38N2O3S
IUPAC name(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight482.683
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.8
SynonymsAC1LACIV
(2,6-Dimethyl-phenyl)-[4-(4-methanesulfonyl-benzyl)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-methanone
1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-4-[[4-(methylsulfonyl)phenyl]methyl]-
BDBM50115539
(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]-1-piperidyl]methanone
[ Show all ]
Inchi KeyJYDQSSJQXSQYRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H38N2O3S/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(11-9-23)34(4,32)33/h5-11,24H,12-20H2,1-4H3
PubChem CID511307
ChEMBLCHEMBL106982
IUPHARN/A
BindingDB50115539
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki33.0 nMPMID12086500BindingDB,ChEMBL

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