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GPCR

NameTrace amine-associated receptor 1
SpeciesMus musculus (Mouse)
GeneTaar1
SynonymTA1 receptor
TaR-1
TAR1
trace amine receptor 1
TRAR1
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMHLCHAITNISHRNSDWSREVQASLYSLMSLIILATLVGNLIVIISISHFKQLHTPTNWLLHSMAIVDFLLGCLIMPCSMVRTVERCWYFGEILCKVHTSTDIMLSSASIFHLAFISIDRYCAVCDPLRYKAKINISTILVMILVSWSLPAVYAFGMIFLELNLKGVEELYRSQVSDLGGCSPFFSKVSGVLAFMTSFYIPGSVMLFVYYRIYFIAKGQARSINRTNVQVGLEGKSQAPQSKETKAAKTLGIMVGVFLVCWCPFFLCTVLDPFLGYVIPPSLNDALYWFGYLNSALNPMVYAFFYPWFRRALKMVLLGKIFQKDSSRSKLFL
UniProtQ923Y8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4908
IUPHAR364
DrugBankN/A

Ligand

NameCHEMBL3701901
Molecular formulaC17H17BrF3N3
IUPAC nameN-[1-(5-bromopyridin-2-yl)-2,2,2-trifluoroethyl]-4-pyrrolidin-3-ylaniline
Molecular weight400.243
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL12609567
US8802673, 2
BDBM129360
HWEROTVBSIYPHR-UHFFFAOYSA-N
[(RS)-1-(5-bromo-pyridin-2-yl)-2,2,2-trifluoro-ethyl]-((RS)-4-pyrrolidin-3-yl-phenyl)-amine
Inchi KeyHWEROTVBSIYPHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17BrF3N3/c18-13-3-6-15(23-10-13)16(17(19,20)21)24-14-4-1-11(2-5-14)12-7-8-22-9-12/h1-6,10,12,16,22,24H,7-9H2
PubChem CID68325405
ChEMBLCHEMBL3701901
IUPHARN/A
BindingDB129360
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4285.7 nM, NoneBindingDB,ChEMBL

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