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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

NameMLS000331008
Molecular formulaC19H17F3N4O4
IUPAC name2-[3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy]acetohydrazide
Molecular weight422.364
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.6
Synonyms2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenoxy}acetohydrazide
MolPort-001-733-788
2-[(4E)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanehydrazide
879464-60-5
F3385-1487
[ Show all ]
Inchi KeyBNUDLNJGHPVWMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17F3N4O4/c1-29-11-4-2-10(3-5-11)16-17(25-26-18(16)19(20,21)22)13-7-6-12(8-14(13)27)30-9-15(28)24-23/h2-8,27H,9,23H2,1H3,(H,24,28)(H,25,26)
PubChem CID2014540
ChEMBLCHEMBL1526545
IUPHARN/A
BindingDB61504
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502750.48 nMPubChem BioAssay data setChEMBL
IC502750.48 nMN/ABindingDB

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