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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

NameCHEMBL255856
Molecular formulaC30H37N5O
IUPAC name(2,4-dimethylpyridin-3-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight483.66
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50234728
SCHEMBL4390695
(2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
Inchi KeyHTTJCVMWSJWZID-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H37N5O/c1-23-11-17-32-24(2)28(23)29(36)33-20-14-30(3,15-21-33)34-18-12-26(13-19-34)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16-17,22,26H,12-15,18-21H2,1-3H3
PubChem CID10413034
ChEMBLCHEMBL255856
IUPHARN/A
BindingDB50234728
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.8 nMPMID18267361BindingDB,ChEMBL

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