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

Namemethyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
Molecular formulaC17H12N2O7
IUPAC namemethyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate
Molecular weight356.29
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.3
SynonymsAC1LNUHY
Oprea1_633740
MLS001198313
CHEMBL1590469
A2802/0118461
[ Show all ]
Inchi KeyHAIYABUPJWVPCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12N2O7/c1-26-17(23)9-6-10(14(20)13(7-9)19(24)25)8-18-15(21)11-4-2-3-5-12(11)16(18)22/h2-7,20H,8H2,1H3
PubChem CID1252599
ChEMBLCHEMBL1590469
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
109891Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
109893Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
109892Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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