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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

NameMLS000684823
Molecular formulaC18H14BrClN2O4
IUPAC namemethyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
Molecular weight437.674
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsBIM-0044053.P001
methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
SR-01000226722
1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester
CHEMBL1406895
[ Show all ]
Inchi KeySQBIDZGSWLVWJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-5-7-14(20)8-6-12)22(21-15)16(23)11-3-2-4-13(19)9-11/h2-9,25H,10H2,1H3
PubChem CID2884240
ChEMBLCHEMBL1406895
IUPHARN/A
BindingDB70948
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5012964.0 nMPubChem BioAssay data setChEMBL

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