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

You can:

Ligand

NameCHEMBL345589
Molecular formulaC20H15N3O3
IUPAC name3-cyano-4-hydroxy-N-[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino]benzamide
Molecular weight345.358
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.1
SynonymsBDBM50122137
SCHEMBL9071693
3-Cyano-4-hydroxy-benzoic acid (4-hydroxymethyl-naphthalen-1-ylmethylene)-hydrazide
Inchi KeyBUYVLDHDDYAAED-SSDVNMTOSA-N
Inchi IDInChI=1S/C20H15N3O3/c21-10-16-9-13(7-8-19(16)25)20(26)23-22-11-14-5-6-15(12-24)18-4-2-1-3-17(14)18/h1-9,11,24-25H,12H2,(H,23,26)/b22-11+
PubChem CID11782911
ChEMBLCHEMBL345589
IUPHARN/A
BindingDB50122137
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33456Glucagon receptorP47871GCGRHomo sapiens (Human)477

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