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

NameCHEMBL127411
Molecular formulaC20H22N2O3S
IUPAC name(4S,5S)-4-(dimethylamino)-1-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-benzo[cd]indol-5-ol
Molecular weight370.467
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
Synonyms1-Tosyl-4alpha-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-5beta-ol
BDBM50106248
SCHEMBL7430504
4-Dimethylamino-1-(toluene-4-sulfonyl)-1,3,4,5-tetrahydro-benzo[cd]indol-5-ol
(4S,5S)-4-Dimethylamino-1-(toluene-4-sulfonyl)-1,3,4,5-tetrahydro-benzo[cd]indol-5-ol
Inchi KeyOVDROBGSEQOKQB-ICSRJNTNSA-N
Inchi IDInChI=1S/C20H22N2O3S/c1-13-7-9-15(10-8-13)26(24,25)22-12-14-11-18(21(2)3)20(23)16-5-4-6-17(22)19(14)16/h4-10,12,18,20,23H,11H2,1-3H3/t18-,20-/m0/s1
PubChem CID6918601
ChEMBLCHEMBL127411
IUPHARN/A
BindingDB50106248
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2510905-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2510985-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2510895-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2510965-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2510915-hydroxytryptamine receptor 5AP35364Htr5aRattus norvegicus (Rat)357
2510925-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2510935-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
251097D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
251095D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
251094D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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