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

Nametetrahydropalmatine
Molecular formulaC21H25NO4
IUPAC name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular weight355.434
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsAC-16039
AS-17459
EBD2156704
I07-0251
N-Demethyl-O,O'-dimethylcyclanoline
[ Show all ]
Inchi KeyAEQDJSLRWYMAQI-KRWDZBQOSA-N
Inchi IDInChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
PubChem CID72301
ChEMBLCHEMBL487182
IUPHARN/A
BindingDB50424077
DrugBankDB12093

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37435-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
37405-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
536014Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
3741D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
3742D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417