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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

NameMLS003777896
Molecular formulaC28H34ClN3O3
IUPAC name(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide
Molecular weight496.048
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.3
Synonyms(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide
CHEMBL2356557
(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-2-phenyl-acetyl]pyrrolidine-2-carboxamide
SMR002440876
BDBM96874
[ Show all ]
Inchi KeyAMXGWCMJIJSVJQ-AHWVRZQESA-N
Inchi IDInChI=1S/C28H34ClN3O3/c29-23-14-7-6-11-21(23)16-17-30-27(34)24-15-8-18-32(24)28(35)26(22-12-2-1-3-13-22)31-25(33)19-20-9-4-5-10-20/h1-3,6-7,11-14,20,24,26H,4-5,8-10,15-19H2,(H,30,34)(H,31,33)/t24-,26-/m0/s1
PubChem CID53361896
ChEMBLCHEMBL2356557
IUPHARN/A
BindingDB96874
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC502198.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC506569.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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