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

NameMLS000564083
Molecular formulaC12H13Cl2N3O4
IUPAC name5-[2-(2,5-dichlorophenyl)hydrazinyl]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
Molecular weight334.153
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.1
Synonyms5-[2-[2,5-bis(chloranyl)phenyl]hydrazinyl]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
HMS2394D05
AC1M4R74
SR-01000027934
5-[(2,5-dichlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
[ Show all ]
Inchi KeyBSDLSFJBRDRQIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H13Cl2N3O4/c13-7-1-2-8(14)9(3-7)16-17-10-11(20)21-6-12(4-18,5-19)15-10/h1-3,16,18-19H,4-6H2,(H,15,17)
PubChem CID2313746
ChEMBLCHEMBL1587672
IUPHARN/A
BindingDB67175
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
31558Apelin receptorP35414APLNRHomo sapiens (Human)380
31559Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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