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

NameCHEMBL481106
Molecular formulaC24H32N2O6S2
IUPAC namebutyl N-[5-(2-methylpropyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]sulfonylcarbamate
Molecular weight508.648
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50251538
butyl 5-isobutyl-3-(4-(morpholine-4-carbonyl)phenyl)thiophen-2-ylsulfonylcarbamate
Inchi KeyCJPBBWUYRIIFRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N2O6S2/c1-4-5-12-32-24(28)25-34(29,30)23-21(16-20(33-23)15-17(2)3)18-6-8-19(9-7-18)22(27)26-10-13-31-14-11-26/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,28)
PubChem CID44567818
ChEMBLCHEMBL481106
IUPHARN/A
BindingDB50251538
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
43585Type-1 angiotensin II receptorP30555AGTR1Sus scrofa (Pig)359
43584Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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