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

NameSCHEMBL1990023
Molecular formulaC16H15Cl2N3O2
IUPAC name2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide
Molecular weight352.215
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.6
SynonymsCHEMBL3917358
BDBM250311
US9452980, 221
4-Pyridinecarboxamide, 2,6-dichloro-N-[4-(2-morpholinyl)phenyl]-
1312569-59-7
Inchi KeyAIXPUCAPNGLHLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15Cl2N3O2/c17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-4,7-8,13,19H,5-6,9H2,(H,20,22)
PubChem CID87320651
ChEMBLCHEMBL3917358
IUPHARN/A
BindingDB250311
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.7 nM, NoneBindingDB,ChEMBL

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