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

NameCHEMBL409026
Molecular formulaC15H21NO2
IUPAC name10-amino-9-(hydroxymethyl)-1-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight247.338
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50050484
10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol
Inchi KeyTYULFMDMDFGHME-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3
PubChem CID44301664
ChEMBLCHEMBL409026
IUPHARN/A
BindingDB50050484
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
330793Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
330792Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
330794Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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