Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameTrace amine-associated receptor 1
SpeciesRattus norvegicus (Rat)
GeneTaar1
SynonymTRAR1
TaR-1
Trace amine receptor 1
TAR1
TA1 receptor
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMHLCHNSANISHTNSNWSRDVRASLYSLISLIILTTLVGNLIVIISISHFKQLHTPTNWLLHSMAVVDFLLGCLVMPYSMVRTVEHCWYFGELFCKLHTSTDIMLSSASILHLAFISIDRYYAVCDPLRYKAKINLAAIFVMILISWSLPAVFAFGMIFLELNLEGVEELYHNQVFCLRGCFPFFSKVSGVLAFMTSFYIPGSVMLFVYYRIYFIAKGQARSINRANLQVGLEGESRAPQSKETKAAKTLGIMVGVFLLCWCPFFFCMVLDPFLGYVIPPTLNDTLNWFGYLNSAFNPMVYAFFYPWFRRALKMVLFGKIFQKDSSRSKLFL
UniProtQ923Y9
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3833
IUPHAR364
DrugBankN/A

Ligand

NameSCHEMBL14150876
Molecular formulaC21H19F3N4O3
IUPAC name1-[3-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
Molecular weight432.403
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM158281
US9029370, 75
Inchi KeyAYSYQXMTYDSFRX-LJQANCHMSA-N
Inchi IDInChI=1S/C21H19F3N4O3/c22-17-8-13(19-11-25-6-7-30-19)4-5-18(17)27-20(29)14-10-26-28(12-14)15-2-1-3-16(9-15)31-21(23)24/h1-5,8-10,12,19,21,25H,6-7,11H2,(H,27,29)/t19-/m1/s1
PubChem CID71086935
ChEMBLN/A
IUPHARN/A
BindingDB158281
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.1 nMN/ABindingDB

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218