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

NameCHEMBL554571
Molecular formulaC15H15NO2S
IUPAC name(1S,10R)-15-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13,16-pentaene-4,5-diol
Molecular weight273.35
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50057840
SCHEMBL7008343
(5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol; hydrobromide
CHEMBL1195441
Inchi KeyQBDQCABBBJIVGT-DOMZBBRYSA-N
Inchi IDInChI=1S/C15H15NO2S/c17-13-3-8-1-2-12-15(10(8)4-14(13)18)11-7-19-6-9(11)5-16-12/h3-4,6-7,12,15-18H,1-2,5H2/t12-,15+/m1/s1
PubChem CID10588327
ChEMBLN/A
IUPHARN/A
BindingDB50057840
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
273985D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
273986D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
273987D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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