Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameAC1L1H1T
Molecular formulaC20H26N4O
IUPAC name1,1-diethyl-3-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)urea
Molecular weight338.455
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.7
SynonymsSCHEMBL14507250
140387-89-9
L000349
Inchi KeyBKRGVLQUQGGVSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)
PubChem CID3938
ChEMBLN/A
IUPHARN/A
BindingDBN/A
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
260785-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
260845-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
260805-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
260835-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
260725-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
260735-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
260755-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
260895-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
26077Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
26086Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
26074Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
26081Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
26091Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
26090Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
26087Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
26082D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
26088D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
26076D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
26085D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
26079D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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