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:

Ligand

NameSCHEMBL1991141
Molecular formulaC19H21ClN2O2
IUPAC name4-chloro-3-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
Molecular weight344.839
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM250291
ZINC117714805
US9452980, 201
Benzamide, 4-chloro-3-methoxy-N-[4-(3S)-3-piperidinylphenyl]-
1312569-07-5
Inchi KeyBHRQCRFMVOTRQJ-OAHLLOKOSA-N
Inchi IDInChI=1S/C19H21ClN2O2/c1-24-18-11-14(6-9-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)/t15-/m1/s1
PubChem CID67238504
ChEMBLN/A
IUPHARN/A
BindingDB250291
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558015Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
558016Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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