Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameCHEMBL304599
Molecular formulaC19H22N6O4S
IUPAC name11-[2-(4-methylpiperazin-1-yl)acetyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
Molecular weight430.483
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP-1.3
SynonymsAC1LBK9X
11-[(4-methylpiperazin-1-yl)acetyl]-6-oxo-6,11-dihydro-5h-pyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
5,11-Dihydro-11-[(4-methyl-1-piperazinyl)acetyl]-6-oxo-6H-pyrido[2,3-b][1,4]benzodiazepine-8-sulfonamide
Pirenzepine, 8-sulfamoyl-
BDBM50012335
[ Show all ]
Inchi KeyBXLNCQMGWFYCMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N6O4S/c1-23-7-9-24(10-8-23)12-17(26)25-16-5-4-13(30(20,28)29)11-14(16)19(27)22-15-3-2-6-21-18(15)25/h2-6,11H,7-10,12H2,1H3,(H,22,27)(H2,20,28,29)
PubChem CID537285
ChEMBLCHEMBL304599
IUPHARN/A
BindingDB50012335
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35191Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
35192Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
35193Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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