Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum -->

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 ●StarFunc ●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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(3-hydroxypropyl)hexanamide
Molecular formula	C21H24N2O4
IUPAC name	6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-hydroxypropyl)hexanamide
Molecular weight	368.433
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.1
Synonyms	AKOS000520334 F0723-0005 SR-01000443613-1 300815-59-2 CB09563 MLS001202700 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-hydroxypropyl)hexanamide SMSF0004664 BAS 00355111 HMS2849E21 ST50225014 6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid (3-hydroxy-propyl)-amide CBMicro_014211 MolPort-001-926-792 AC1MDC44 CHEMBL1573392 SR-01000443613 BIM-0014121.P001 MCULE-6660377360 ZINC3892631 CCG-2368 SMR000513645 [ Show all ]
Inchi Key	AHZJUJBYCSKIEE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O4/c24-14-6-12-22-18(25)11-2-1-3-13-23-20(26)16-9-4-7-15-8-5-10-17(19(15)16)21(23)27/h4-5,7-10,24H,1-3,6,11-14H2,(H,22,25)
PubChem CID	2834393
ChEMBL	CHEMBL1573392
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
6012	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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