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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

NameCID 136859397
Molecular formulaC43H32N10Na4O17S4
IUPAC nametetrasodium;4-[[1-methyl-4-[[4-[[[[5-[[1-methyl-5-[(8-sulfo-4-sulfonatonaphthalen-1-yl)carbamoyl]pyrrol-3-yl]carbamoyl]-1H-pyrrol-3-yl]amino]-oxidomethylidene]amino]-1H-pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,5-disulfonate
Molecular weight1180.98
Hydrogen bond acceptor18
Hydrogen bond donor8
XlogPNone
SynonymsN/A
Inchi KeyABDIWGRATHZIPB-UHFFFAOYSA-J
Inchi IDInChI=1S/C43H36N10O17S4.4Na/c1-52-19-23(15-31(52)41(56)50-27-9-11-33(71(59,60)61)25-5-3-7-35(37(25)27)73(65,66)67)46-39(54)29-13-21(17-44-29)48-43(58)49-22-14-30(45-18-22)40(55)47-24-16-32(53(2)20-24)42(57)51-28-10-12-34(72(62,63)64)26-6-4-8-36(38(26)28)74(68,69)70;;;;/h3-20,44-45H,1-2H3,(H,46,54)(H,47,55)(H,50,56)(H,51,57)(H2,48,49,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;/q;4*+1/p-4
PubChem CID136859397
ChEMBLCHEMBL264470
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition-10.5 %PMID9632350ChEMBL
Inhibition-3.1 %PMID9632350ChEMBL
Inhibition6.5 %PMID9632350ChEMBL

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