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 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

You can:

Ligand

NameSMR000068198
Molecular formulaC22H19N3O3
IUPAC name3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
Molecular weight373.412
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
SynonymsAC1MHCE8
MolPort-004-179-858
CHEMBL1448717
ZINC4144699
3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
[ Show all ]
Inchi KeyABVZLUVYUWOGNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19N3O3/c26-21(23-13-12-17-9-6-14-28-17)20-18-10-4-5-11-19(18)22(27)25(24-20)15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,23,26)
PubChem CID2999721
ChEMBLCHEMBL1448717
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1232Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1233Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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