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

NameCHEMBL58059
Molecular formulaC16H24N2O
IUPAC name10-amino-1-methyl-9-(methylaminomethyl)tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight260.381
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.4
Synonyms10-Amino-1-methyl-9-methylaminomethyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol
BDBM50050481
Inchi KeyOIWAOFDWJNPNPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H24N2O/c1-15-6-5-14(17)16(9-15,10-18-2)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,18-19H,5-6,8-10,17H2,1-2H3
PubChem CID44302312
ChEMBLCHEMBL58059
IUPHARN/A
BindingDB50050481
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
242465Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
242464Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
242463Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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