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	CHEMBL1949688
Molecular formula	C19H24N6O7S
IUPAC name	propan-2-yl 4-[6-[(6-methylsulfonyl-2-nitropyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
Molecular weight	480.496
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM50364565
Inchi Key	PVCFBCABNZROKN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N6O7S/c1-12(2)31-19(26)24-8-6-13(7-9-24)32-16-10-15(20-11-21-16)22-14-4-5-17(33(3,29)30)23-18(14)25(27)28/h4-5,10-13H,6-9H2,1-3H3,(H,20,21,22)
PubChem CID	57393406
ChEMBL	CHEMBL1949688
IUPHAR	N/A
BindingDB	50364565
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
269669	Glucose-dependent insulinotropic receptor	Q8TDV5	GPR119	Homo sapiens (Human)	335
269670	Glucose-dependent insulinotropic receptor	Q7TQN8	Gpr119	Rattus norvegicus (Rat)	468

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