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 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

NameCHEMBL201177
Molecular formulaC21H24N2
IUPAC name3-methyl-7-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole
Molecular weight304.437
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50180907
SCHEMBL11823184
1,2,3,4,5,6,7,8-Octahydro-3-methyl-7-phenylazonino[5,4-b]indole
AEHACZVHKAVVDK-UHFFFAOYSA-N
3-methyl-7-phenyl-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indole
[ Show all ]
Inchi KeyAEHACZVHKAVVDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2/c1-23-14-7-11-17(16-8-3-2-4-9-16)21-19(13-15-23)18-10-5-6-12-20(18)22-21/h2-6,8-10,12,17,22H,7,11,13-15H2,1H3
PubChem CID21555004
ChEMBLCHEMBL201177
IUPHARN/A
BindingDB50180907
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
3461D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
3460D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
3462D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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