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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-0435573.0001
Molecular formulaC19H22N2O4S2
IUPAC nameN-(3-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Molecular weight406.515
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
SynonymsAC1MH23Q
N-(3-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
ZINC4749138
CHEMBL1714418
N-(3-morpholinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
[ Show all ]
Inchi KeyBAUQELIGAWYSBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2O4S2/c22-19(18-12-14-4-1-2-7-17(14)26-18)20-15-5-3-6-16(13-15)27(23,24)21-8-10-25-11-9-21/h3,5-6,12-13H,1-2,4,7-11H2,(H,20,22)
PubChem CID2970280
ChEMBLCHEMBL1714418
IUPHARN/A
BindingDB68330
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<32000.0 nMPubChem BioAssay data setChEMBL

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