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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameBDBM50098448
Molecular formulaC25H35N3O2
IUPAC name4-(N-[(3S)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide
Molecular weight409.574
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.8
Synonyms4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl)-amino]-N,N-diethyl-benzamide
4-{[(3S)-1,3-dimethylpiperidin-4-yl](3-methoxyphenyl)amino}-N,N-diethylbenzamide
Inchi KeyBNEAXOWTFLKGSP-XGLRFROISA-N
Inchi IDInChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1
PubChem CID44386832
ChEMBLN/A
IUPHARN/A
BindingDB50098448
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28014Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
28012Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
28013Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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