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

NameCHEMBL389559
Molecular formulaC20H25NO
IUPAC name12-methyl-12-azatricyclo[14.4.0.03,8]icosa-1(20),3(8),4,6,16,18-hexaen-6-ol
Molecular weight295.426
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50219147
ZINC28711632
8-methyl-5,6,7,8,9,10,11,16-octahydrodibenzo[e,h]azacyclododecene-3-ol
Inchi KeyBHUNVFVEHNURLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25NO/c1-21-12-4-8-16-6-2-3-7-17(16)14-19-10-11-20(22)15-18(19)9-5-13-21/h2-3,6-7,10-11,15,22H,4-5,8-9,12-14H2,1H3
PubChem CID17755868
ChEMBLCHEMBL389559
IUPHARN/A
BindingDB50219147
DrugBankN/A

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
24097D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
24098D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
24100D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
24101D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
24099D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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