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

NameSCHEMBL604437
Molecular formulaC18H25N5O
IUPAC name(7aS,11aS)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amine
Molecular weight327.432
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.3
Synonyms(-)-(7aS*,11aS*)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro[1]benzofuro[2,3h]quinazolin-2-amine
MolPort-023-276-880
UNII-6BVK16R925 component DJKJVWJQAVGLHJ-YPMHNXCESA-N
AKOS024457726
(+/-)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine
[ Show all ]
Inchi KeyDJKJVWJQAVGLHJ-YPMHNXCESA-N
Inchi IDInChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
PubChem CID25109291
ChEMBLCHEMBL519240
IUPHARN/A
BindingDB26226
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 57
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
615335-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
615795-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
615785-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
615615-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
615435-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
615745-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
615345-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
615525-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
61536Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
61572Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
444125Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
61542B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
61567Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
61535Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
61558C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
61583Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
61550Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
61570Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
61568D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
61537D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477

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