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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

NameCHEMBL106406
Molecular formulaC27H35IN2O
IUPAC name(2,6-dimethylphenyl)-[4-[4-[(4-iodophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight530.494
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.2
Synonyms1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4-[(4-iodophenyl)methyl]-4'-methyl-
BDBM50115521
(2,6-dimethylphenyl)-[4-[4-[(4-iodophenyl)methyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
(2,6-dimethylphenyl)-[4-[4-[(4-iodophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
AC1LACIJ
[ Show all ]
Inchi KeyCPELYVWCRNINCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35IN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
PubChem CID511303
ChEMBLCHEMBL106406
IUPHARN/A
BindingDB50115521
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki33.0 nMPMID12086500BindingDB,ChEMBL

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