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GPCR

NameC-X-C chemokine receptor type 5
SpeciesHomo sapiens (Human)
GeneCXCR5
SynonymBLR-1
NLR
neurolymphatic receptor
Monocyte-derived receptor 15
MDR15
[ Show all ]
DiseaseSystemic lupus erythematosus
Length372
Amino acid sequenceMNYPLTLEMDLENLEDLFWELDRLDNYNDTSLVENHLCPATEGPLMASFKAVFVPVAYSLIFLLGVIGNVLVLVILERHRQTRSSTETFLFHLAVADLLLVFILPFAVAEGSVGWVLGTFLCKTVIALHKVNFYCSSLLLACIAVDRYLAIVHAVHAYRHRRLLSIHITCGTIWLVGFLLALPEILFAKVSQGHHNNSLPRCTFSQENQAETHAWFTSRFLYHVAGFLLPMLVMGWCYVGVVHRLRQAQRRPQRQKAVRVAILVTSIFFLCWSPYHIVIFLDTLARLKAVDNTCKLNGSLPVAITMCEFLGLAHCCLNPMLYTFAGVKFRSDLSRLLTKLGCTGPASLCQLFPSWRRSSLSESENATSLTTF
UniProtP32302
Protein Data BankN/A
GPCR-HGmod modelP32302
3D structure modelThis predicted structure model is from GPCR-EXP P32302.
BioLiPN/A
Therapeutic Target DatabaseT09528
ChEMBLCHEMBL1075315
IUPHARN/A
DrugBankN/A

Ligand

NameSCHEMBL3307711
Molecular formulaC22H21F2NO3
IUPAC name4,5-difluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight385.411
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsBMBSLTRHUKLFAS-UHFFFAOYSA-N
4,5-Difluoro-2-[3-methyl-2-(2-methyl-propenyl)-benzoylamino]-indan-2-carboxylic acid
CHEMBL3719134
Inchi KeyBMBSLTRHUKLFAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21F2NO3/c1-12(2)9-16-13(3)5-4-6-15(16)20(26)25-22(21(27)28)10-14-7-8-18(23)19(24)17(14)11-22/h4-9H,10-11H2,1-3H3,(H,25,26)(H,27,28)
PubChem CID25102804
ChEMBLCHEMBL3719134
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.0 nMNoneChEMBL

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