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

NameSCHEMBL1532866
Molecular formulaC18H23N3O2
IUPAC name6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
Molecular weight313.401
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.6
SynonymsCHEMBL3903895
Inchi KeyADXBHKREPBWTDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23N3O2/c1-13(2)9-10-20-11-14-3-6-16(7-4-14)23-17-8-5-15(12-21-17)18(19)22/h3-8,12-13,20H,9-11H2,1-2H3,(H2,19,22)
PubChem CID9904911
ChEMBLCHEMBL3903895
IUPHARN/A
BindingDBN/A
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
535993Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
535991Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
535992Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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