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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

NameCHEMBL2392175
Molecular formulaC19H14BrNO6
IUPAC name6-bromo-8-[(4-ethoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
Molecular weight432.226
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50436019
Inchi KeyCOWMNPYZUXTPOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14BrNO6/c1-2-26-12-5-3-10(4-6-12)18(23)21-14-8-11(20)7-13-15(22)9-16(19(24)25)27-17(13)14/h3-9H,2H2,1H3,(H,21,23)(H,24,25)
PubChem CID71733844
ChEMBLCHEMBL2392175
IUPHARN/A
BindingDB50436019
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity-1.0 %PMID23713606ChEMBL
Inhibition39.0 %PMID23713606ChEMBL

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