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

NameCHEMBL155208
Molecular formulaC17H17NO2
IUPAC name11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-16-ol
Molecular weight267.328
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms1-Methyl-2,3,12,12a-tetrahydro-1H-7-oxa-1-aza-pleiaden-5-ol
BDBM50202296
Inchi KeyBBDMAMMSMIPUOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17NO2/c1-18-7-6-12-8-13(19)10-16-17(12)14(18)9-11-4-2-3-5-15(11)20-16/h2-5,8,10,14,19H,6-7,9H2,1H3
PubChem CID10333195
ChEMBLCHEMBL155208
IUPHARN/A
BindingDB50202296
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19405D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
19406D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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