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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

NameCHEMBL255646
Molecular formulaC30H37N5O2
IUPAC name(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-pyridin-2-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight499.659
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50234729
SCHEMBL4385620
(2,4-dimethyl-1-oxy-pyridin-3-yl)-[4''-methyl-4-(phenyl-pyridin-2-yl-amino)-[1,4'']bipiperidinyl-1''-yl]-methanone
Inchi KeyQLHFHZYYINJDOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H37N5O2/c1-23-12-20-34(37)24(2)28(23)29(36)32-21-15-30(3,16-22-32)33-18-13-26(14-19-33)35(25-9-5-4-6-10-25)27-11-7-8-17-31-27/h4-12,17,20,26H,13-16,18-19,21-22H2,1-3H3
PubChem CID44447735
ChEMBLCHEMBL255646
IUPHARN/A
BindingDB50234729
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5012.0 nMPMID18267361BindingDB,ChEMBL

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