Zhang Lab

University of Michigan

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

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	CHEMBL282680
Molecular formula	C19H18N2O2
IUPAC name	6-methoxy-8,16-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,12(20),13-hexaen-9-one
Molecular weight	306.365
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	4-Methoxy-6,7,9,10,11,12-hexahydro-5H-4b,10-diazabenzo[a]aceanthrylene-5-one
Inchi Key	ADNXJRWPXNPPPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N2O2/c1-23-15-4-2-3-14-17-13-7-8-20-10-12(13)9-11-5-6-16(22)21(18(11)17)19(14)15/h2-4,9,20H,5-8,10H2,1H3
PubChem CID	11822925
ChEMBL	CHEMBL282680
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
2908	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
2906	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
2907	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
2909	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479

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