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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

NameMLS003106542
Molecular formulaC11H14N2O2
IUPAC nameN-(2-methoxy-6-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight206.245
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.5
SynonymsUNII-XUM4W4GH4I
AC1Q4UI7
N-(2-methoxy-6-methylphenyl)-4,5-dihydrooxazol-2-amine
2-oxazolamine, 4,5-dihydro-n-(2-methoxy-6-methylphenyl)-
DTXSID90175897
[ Show all ]
Inchi KeyAAYGWMVNFUJRJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H14N2O2/c1-8-4-3-5-9(14-2)10(8)13-11-12-6-7-15-11/h3-5H,6-7H2,1-2H3,(H,12,13)
PubChem CID98724
ChEMBLCHEMBL2357494
IUPHARN/A
BindingDB96825
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50734.5 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC504116.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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