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GPCR

NameC-C chemokine receptor type 5
SpeciesMacaca fascicularis (Crab-eating macaque)
GeneCCR5
SynonymC-C CKR-5
CC-CKR-5
CCR-5
CCR5
DiseaseN/A for non-human GPCRs
Length352
Amino acid sequenceMDYQVSSPTYDIDYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNILVVLILINCKRLKSMTDIYLLNLAISDLLFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQREGLHYTCSSHFPYSQYQFWKNFQTLKMVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProtP61814
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075263
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL255429
Molecular formulaC31H38N4O
IUPAC name(2,6-dimethylphenyl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight482.672
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50234732
(2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
Inchi KeyZGCPJKJWPQSVFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H38N4O/c1-24-9-7-10-25(2)29(24)30(36)33-21-16-31(3,17-22-33)34-19-14-27(15-20-34)35(26-11-5-4-6-12-26)28-13-8-18-32-23-28/h4-13,18,23,27H,14-17,19-22H2,1-3H3
PubChem CID10163007
ChEMBLCHEMBL255429
IUPHARN/A
BindingDB50234732
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501.1 nMPMID18267361BindingDB,ChEMBL

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