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GPCR

NameG-protein coupled receptor 55
SpeciesHomo sapiens (Human)
GeneGPR55
SynonymGPR55
DiseaseN/A
Length319
Amino acid sequenceMSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProtQ9Y2T6
Protein Data BankN/A
GPCR-HGmod modelQ9Y2T6
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075322
IUPHAR109
DrugBankBE0005802

Ligand

NameMLS-0203836.0001
Molecular formulaC27H22N4O3S2
IUPAC name2-(2,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
Molecular weight514.618
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.3
SynonymsMLS003904724
2-(2,4-dimethylphenyl)-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
HMS2539B20
ST50914578
2-(2,4-dimethylphenyl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-4-quinolinecarboxamide
[ Show all ]
Inchi KeyBZRLSZPXWKJEHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H22N4O3S2/c1-17-7-12-21(18(2)15-17)25-16-23(22-5-3-4-6-24(22)30-25)26(32)29-19-8-10-20(11-9-19)36(33,34)31-27-28-13-14-35-27/h3-16H,1-2H3,(H,28,31)(H,29,32)
PubChem CID1358622
ChEMBLCHEMBL1382214
IUPHARN/A
BindingDB76075
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC507700.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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