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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

NameCHEMBL301454
Molecular formulaC33H41N3O
IUPAC name[4-[4-(N-benzylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight495.711
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.8
SynonymsSCHEMBL3841540
AC1MHP9D
[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)methanone
(4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone
[1,4'-Bipiperidin]-4-amine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-N-phenyl-N-(phenylmethyl)-
[ Show all ]
Inchi KeyJBRPUKJNMGIQRP-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3
PubChem CID3008913
ChEMBLCHEMBL301454
IUPHARN/A
BindingDB50143740
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.0 nMPMID18267361BindingDB,ChEMBL

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