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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

NameSCHEMBL3314175
Molecular formulaC20H16N2O3
IUPAC name2-(isoquinoline-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
Molecular weight332.359
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
SynonymsIMKQJJQBBWOHMH-UHFFFAOYSA-N
CHEMBL3718921
2-[(Isoquinoline-4-carbonyl)-amino]-indan-2-carboxylic acid
Inchi KeyIMKQJJQBBWOHMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16N2O3/c23-18(17-12-21-11-15-7-3-4-8-16(15)17)22-20(19(24)25)9-13-5-1-2-6-14(13)10-20/h1-8,11-12H,9-10H2,(H,22,23)(H,24,25)
PubChem CID59314209
ChEMBLCHEMBL3718921
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
IC50<30000.0 nMNoneChEMBL

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