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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

NameMLS001002995
Molecular formulaC21H21N3O4S2
IUPAC nameN-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
Molecular weight443.536
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.4
SynonymsSR-01000088385-1
503036-56-4
HMS2758G18
N-[4-(4-morpholinylsulfonyl)phenyl]-2-(8-quinolinylthio)acetamide
N-[4-(morpholin-4-ylsulfonyl)phenyl]-2-(quinolin-8-ylthio)acetamide
[ Show all ]
Inchi KeyQPVPCRMOVBLWQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N3O4S2/c25-20(15-29-19-5-1-3-16-4-2-10-22-21(16)19)23-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-10H,11-15H2,(H,23,25)
PubChem CID4261263
ChEMBLCHEMBL1382320
IUPHARN/A
BindingDB80031
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507002.0 nMPubChem BioAssay data setChEMBL

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