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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

NameSCHEMBL3306521
Molecular formulaC21H23NO3S
IUPAC name1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-4,6-dihydrocyclopenta[c]thiophene-5-carboxylic acid
Molecular weight369.479
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
Synonyms1,3-Dimethyl-5-[(5,6,7,8-tetrahydro-naphthalene-1-carbonyl)-amino]-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid
CHEMBL3719127
CGVUCVLXGMIVEB-UHFFFAOYSA-N
Inchi KeyCGVUCVLXGMIVEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23NO3S/c1-12-17-10-21(20(24)25,11-18(17)13(2)26-12)22-19(23)16-9-5-7-14-6-3-4-8-15(14)16/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,22,23)(H,24,25)
PubChem CID59314405
ChEMBLCHEMBL3719127
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
IC502850.0 nMNoneChEMBL

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