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

NameMLS000420322
Molecular formulaC24H28ClN5O5
IUPAC name3-[[2-(4-chlorophenyl)acetyl]amino]-3-[3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]phenyl]propanamide
Molecular weight501.968
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsCHEMBL1437255
HMS2203O16
HMS3352N18
SMR000463231
Inchi KeyALGCGZMAHOHBFT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28ClN5O5/c25-18-7-4-16(5-8-18)13-23(32)28-20(15-22(26)31)17-6-9-19(21(14-17)30(34)35)27-10-2-12-29-11-1-3-24(29)33/h4-9,14,20,27H,1-3,10-13,15H2,(H2,26,31)(H,28,32)
PubChem CID24789160
ChEMBLCHEMBL1437255
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8237Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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