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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-0437448.0001
Molecular formulaC11H11N5S
IUPAC name[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]thiourea
Molecular weight245.304
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP1.2
SynonymsAC1NSL0H
HMS1583O17
[[(Z)-(3-phenylpyrazol-4-ylidene)methyl]amino]thiourea
AKOS005444153
ST50912622
[ Show all ]
Inchi KeyCNUFVDRGRFSWEU-VGOFMYFVSA-N
Inchi IDInChI=1S/C11H11N5S/c12-11(17)16-14-7-9-6-13-15-10(9)8-4-2-1-3-5-8/h1-7H,(H,13,15)(H3,12,16,17)/b14-7+
PubChem CID135446678
ChEMBLCHEMBL1701030
IUPHARN/A
BindingDB75871
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<32000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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