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

NameNCGC00167821-01
Molecular formulaC26H37N5O2
IUPAC nameN-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight451.615
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.4
SynonymsCHEMBL1898147
AC1L1DUH
CAS_54746
HMS3269L07
BDBM86052
[ Show all ]
Inchi KeyKORNTPPJEAJQIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)
PubChem CID2512
ChEMBLN/A
IUPHARN/A
BindingDB86052
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 21
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1743125-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1743025-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1743145-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1743055-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1743075-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1743205-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
174317Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
174301Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
174311Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
174310Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
174313Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
174319Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
174308Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
174315Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
174318Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
174304D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
174309D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
174300D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
174303D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
174306D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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