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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

NameCHEMBL154103
Molecular formulaC12H12ClNO3
IUPAC name(E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid
Molecular weight253.682
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.9
Synonyms(E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid
cid_6148558
SMR000456815
AC1O2ADR
4-[(4-chlorophenethyl)amino]-4-oxobut-2-enoic acid
[ Show all ]
Inchi KeyASNQTQOSQYVBIA-AATRIKPKSA-N
Inchi IDInChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5+
PubChem CID6148558
ChEMBLCHEMBL154103
IUPHARN/A
BindingDB50136837
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5051714.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC50<29910.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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