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GPCR

NameC-C chemokine receptor type 5
SpeciesHomo sapiens (Human)
GeneCCR5
SynonymCD195
chemokine (C-C motif) receptor 5 (gene/pseudogene)
CHEMR13
CCR5
CCR-5
[ Show all ]
DiseaseHuman immunodeficiency virus infection
Length352
Amino acid sequenceMDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProtP51681
Protein Data Bank4mbs, 6aky, 6akx, 5uiw
GPCR-HGmod modelP51681
3D structure modelThis structure is from PDB ID 4mbs.
BioLiPBL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314
Therapeutic Target DatabaseT72171
ChEMBLCHEMBL274
IUPHAR62
DrugBankBE0000911

Ligand

NameCHEMBL3397986
Molecular formulaC30H40ClFN4O2
IUPAC name1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(2-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]piperidine-4-carboxamide
Molecular weight543.124
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50062993
1-acetyl-N-(3-chloro-4-methyl-phenyl)-N-[3-[4-[(2-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]propyl]piperidine-4-carboxamide
Inchi KeyABASRKIVZOVMJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H40ClFN4O2/c1-22-9-10-27(19-28(22)31)36(30(38)25-11-15-35(16-12-25)24(3)37)14-6-13-34-18-17-33(20-23(34)2)21-26-7-4-5-8-29(26)32/h4-5,7-10,19,23,25H,6,11-18,20-21H2,1-3H3
PubChem CID118727175
ChEMBLCHEMBL3397986
IUPHARN/A
BindingDB50062993
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5030.0 nMPMID25638498BindingDB
IC5030.1 nMPMID25638498ChEMBL

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