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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

NameCHEMBL205851
Molecular formulaC28H35Cl2FN4O2
IUPAC name1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-(4-fluoroanilino)piperidin-1-yl]propyl]piperidine-4-carboxamide
Molecular weight549.512
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
SynonymsAQKXSWOKSKKJQI-UHFFFAOYSA-N
1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-(4-fluoroanilino)-1-piperidyl]propyl]piperidine-4-carboxamide
4-Piperidinecarboxamide, 1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)amino]-1-piperidinyl]propyl]-
BDBM50185965
1-Acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroanilino)-1-piperidinyl]propyl}-4-piperidinecarboxamide
[ Show all ]
Inchi KeyAQKXSWOKSKKJQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35Cl2FN4O2/c1-20(36)34-17-9-21(10-18-34)28(37)35(25-7-8-26(29)27(30)19-25)14-2-13-33-15-11-24(12-16-33)32-23-5-3-22(31)4-6-23/h3-8,19,21,24,32H,2,9-18H2,1H3
PubChem CID11693007
ChEMBLCHEMBL205851
IUPHARN/A
BindingDB50185965
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5020.0 nMPMID16640339BindingDB,ChEMBL
IC5026.0 nMPMID16640339BindingDB,ChEMBL

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