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

NameCHEMBL2114441
Molecular formulaC19H23NO2S
IUPAC name(1S,10R)-15-tert-butyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
Molecular weight329.458
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50408145
SCHEMBL7005065
2-tert-Butyl-4,5,5abeta,6,7,11balpha-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol
CHEMBL2219802
Inchi KeyJRQAGZUTSLOUSW-ACJLOTCBSA-N
Inchi IDInChI=1S/C19H23NO2S/c1-19(2,3)17-8-12-16(23-17)9-20-13-5-4-10-6-14(21)15(22)7-11(10)18(12)13/h6-8,13,18,20-22H,4-5,9H2,1-3H3/t13-,18+/m1/s1
PubChem CID10640108
ChEMBLN/A
IUPHARN/A
BindingDB50408145
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
158267D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
158265D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
158266D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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