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	SR-01000300690
Molecular formula	C22H22N4O3
IUPAC name	methyl 6-(benzimidazol-1-ylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Molecular weight	390.443
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.5
Synonyms	AKOS022023094 MLS002548737 HMS2311O16 SR-01000300690-1 methyl 6-(1H-1,3-benzimidazol-1-ylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate STL435841 MolPort-002-299-423 MCULE-1473425104 SR-01000300690-4 AC1MGAWA methyl 6-(1H-benzimidazol-1-ylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate CHEMBL1602422 methyl 4-(benzimidazolylmethyl)-6-(2,5-dimethylphenyl)-2-oxo-1,3,6-trihydropyr imidine-5-carboxylate ST058508 [ Show all ]
Inchi Key	ABZOSAGKSZSRQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N4O3/c1-13-8-9-14(2)15(10-13)20-19(21(27)29-3)17(24-22(28)25-20)11-26-12-23-16-6-4-5-7-18(16)26/h4-10,12,20H,11H2,1-3H3,(H2,24,25,28)
PubChem CID	2983279
ChEMBL	CHEMBL1602422
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
1345	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
1343	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
1342	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
1344	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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