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	CHEMBL400018
Molecular formula	C24H18N2O2
IUPAC name	4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Molecular weight	366.42
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.4
Synonyms	4-(3-Methoxy-phenyl)-8-phenylethynyl-1,3-dihydro-benzo [b][1,4]diazepin-2-one BDBM50225813 DLLZKQWDMQYPFQ-UHFFFAOYSA-N 4-(3-Methoxy-phenyl)-8-phenylethynyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one (E)-4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one SCHEMBL5869015 [ Show all ]
Inchi Key	DLLZKQWDMQYPFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H18N2O2/c1-28-20-9-5-8-19(15-20)22-16-24(27)26-23-14-18(12-13-21(23)25-22)11-10-17-6-3-2-4-7-17/h2-9,12-15H,16H2,1H3,(H,26,27)
PubChem CID	22224730
ChEMBL	CHEMBL400018
IUPHAR	N/A
BindingDB	50225813
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
63091	Metabotropic glutamate receptor 2	P31421	Grm2	Rattus norvegicus (Rat)	872
559233	Metabotropic glutamate receptor 2	Q14416	GRM2	Homo sapiens (Human)	872

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