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

NameCHEMBL569923
Molecular formulaC31H40N6O6S
IUPAC nameN-[(4R)-4-(3,4-dimethoxyphenyl)-4-[4-(4-ethylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide
Molecular weight624.757
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50302256
SCHEMBL1472348
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
Inchi KeyOIWZZNWVSQIFAZ-XMMPIXPASA-N
Inchi IDInChI=1S/C31H40N6O6S/c1-6-35-15-17-36(18-16-35)25-10-7-9-23-29(25)31(39)37(30(23)38)24(22-12-13-26(42-4)27(19-22)43-5)11-8-14-32-44(40,41)28-20-34(3)21(2)33-28/h7,9-10,12-13,19-20,24,32H,6,8,11,14-18H2,1-5H3/t24-/m1/s1
PubChem CID44597069
ChEMBLCHEMBL569923
IUPHARN/A
BindingDB50302256
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
242499Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
242500Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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