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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

NameMLS000586810
Molecular formulaC22H27NO3S
IUPAC name2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Molecular weight385.522
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
SynonymsAKOS022040537
MolPort-007-641-449
2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CHEMBL1556845
MCULE-9919325384
[ Show all ]
Inchi KeyAFOTVSJJNDZGNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27NO3S/c1-22(2)14-20(18-13-17(25-3)9-10-19(18)26-22)27-15-21(24)23-12-11-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,23,24)
PubChem CID15945446
ChEMBLCHEMBL1556845
IUPHARN/A
BindingDB96653
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501037.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC502309.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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