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	CHEMBL238262
Molecular formula	C17H11N5OS
IUPAC name	13-(4-methylphenyl)-10-thia-3,4,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
Molecular weight	333.369
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	8-(4-methylphenyl)-1H-pyrazolo[3'''',4'''':4'',5'']pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-7(8H)-one BDBM50224403 SCHEMBL8243816
Inchi Key	AJSOPCTYDMXEJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H11N5OS/c1-9-2-4-11(5-3-9)22-8-19-14-12-13-10(7-20-21-13)6-18-16(12)24-15(14)17(22)23/h2-8H,1H3,(H,20,21)
PubChem CID	16038352
ChEMBL	CHEMBL238262
IUPHAR	N/A
BindingDB	50224403
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
7201	Metabotropic glutamate receptor 1	Q13255	GRM1	Homo sapiens (Human)	1194
7202	Metabotropic glutamate receptor 1	P23385	Grm1	Rattus norvegicus (Rat)	1199
7203	Metabotropic glutamate receptor 5	P41594	GRM5	Homo sapiens (Human)	1212

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