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

NameAK114517
Molecular formulaC17H28O2
IUPAC name[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-2-tricyclo[5.3.1.01,5]undecanyl] acetate
Molecular weight264.409
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.3
SynonymsCHEMBL3727698
AJ-126770
S287
AX8120235
(3R,3aS,6R,7R,8aS)-Octahydro-3,6,8,8-tetramethyl-1H-3a
[ Show all ]
Inchi KeyOETMLOBORLMQPE-YIUHCBHRSA-N
Inchi IDInChI=1S/C17H28O2/c1-11-6-9-17-10-13(11)15(3,4)14(17)7-8-16(17,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13-,14+,16-,17+/m1/s1
PubChem CID54146524
ChEMBLCHEMBL3727698
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
528409Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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