Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

Name4-hydroxy-2-oxo-N'-[(E)-phenylmethylidene]-1,2-dihydroquinoline-3-carbohydrazide
Molecular formulaC17H13N3O3
IUPAC nameN-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Molecular weight307.309
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.9
SynonymsAC1OBNVH
MLS000589876
CHEMBL3191933
MolPort-002-537-481
STK052696
[ Show all ]
Inchi KeyADDZLKKZKXLNRZ-VCHYOVAHSA-N
Inchi IDInChI=1S/C17H13N3O3/c21-15-12-8-4-5-9-13(12)19-16(22)14(15)17(23)20-18-10-11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,19,21,22)/b18-10+
PubChem CID54725416
ChEMBLCHEMBL3191933
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
2156Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463202Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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