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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

NameMLS000696725
Molecular formulaC26H27N3O3
IUPAC name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
Molecular weight429.52
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.3
Synonyms1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(1-(2-oxo-2-(piperidin-1-yl)ethyl)-1H-indol-3-yl)ethane-1,2-dione
F2001-0657
ZINC8683825
AKOS024619435
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
[ Show all ]
Inchi KeyASUMKZBPKUYBOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27N3O3/c30-24(27-13-6-1-7-14-27)18-29-17-22(21-10-4-5-11-23(21)29)25(31)26(32)28-15-12-19-8-2-3-9-20(19)16-28/h2-5,8-11,17H,1,6-7,12-16,18H2
PubChem CID12006196
ChEMBLCHEMBL1438321
IUPHARN/A
BindingDB96645
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50879.12 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC503568.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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