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GPCR

NameTrace amine-associated receptor 1
SpeciesHomo sapiens (Human)
GeneTAAR1
Synonymtrace amine receptor 1
TAR1
TaR-1
TA1 receptor
TRAR1
DiseaseN/A
Length339
Amino acid sequenceMMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS
UniProtQ96RJ0
Protein Data BankN/A
GPCR-HGmod modelQ96RJ0
3D structure modelThis predicted structure model is from GPCR-EXP Q96RJ0.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5857
IUPHAR364
DrugBankBE0001044

Ligand

NameMLS001236764
Molecular formulaC17H16FN3O3S2
IUPAC name2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Molecular weight393.451
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
Synonyms886956-45-2
F2700-0337
2-((7-fluoro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-phenethylacetamide
AKOS024671638
2-[(7-fluoro-1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-(2-phenylethyl)acetamide
[ Show all ]
Inchi KeyADBVETNOWQEIHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16FN3O3S2/c18-13-6-7-14-15(10-13)26(23,24)21-17(20-14)25-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
PubChem CID7386906
ChEMBLCHEMBL1434899
IUPHARN/A
BindingDB96795
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50620.97 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC503518.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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