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

NameCHEMBL288536
Molecular formulaC15H15NO2S
IUPAC name(1S,10S)-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol
Molecular weight273.35
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.2
Synonyms(5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol
BDBM50057837
SCHEMBL7005463
4,5,5aalpha,6,7,11bbeta-Hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol
Inchi KeyYWMQJPWBNVVTRC-FZMZJTMJSA-N
Inchi IDInChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1
PubChem CID10540201
ChEMBLCHEMBL288536
IUPHARN/A
BindingDB50057837
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4209605-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
4209575-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
4209625-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
420956Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
420959D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
420961D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
420958D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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