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

NameCHEMBL246875
Molecular formulaC30H38N2O5S2
IUPAC namebutyl N-[3-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight570.763
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50221313
N-butyloxycarbonyl-3-[4-(N-benzyl-N-ethylcarbamoylmethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyJBVOFPFLBCJDRI-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H38N2O5S2/c1-5-7-17-37-30(34)31-39(35,36)29-27(20-26(38-29)18-22(3)4)25-15-13-23(14-16-25)19-28(33)32(6-2)21-24-11-9-8-10-12-24/h8-16,20,22H,5-7,17-19,21H2,1-4H3,(H,31,34)
PubChem CID10370806
ChEMBLCHEMBL246875
IUPHARN/A
BindingDB50221313
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
147096Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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