Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL487444
Molecular formulaC23H24N4O4S
IUPAC name1-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]-3-[2-(methylamino)ethyl]urea
Molecular weight452.529
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.9
SynonymsBDBM50377955
CHEMBL1203967
Inchi KeyBRSOXCCXUITPHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N4O4S/c1-24-15-16-25-23(29)26-18-11-13-19(14-12-18)32(30,31)27-21-10-6-5-9-20(21)22(28)17-7-3-2-4-8-17/h2-14,24,27H,15-16H2,1H3,(H2,25,26,29)
PubChem CID24895252
ChEMBLN/A
IUPHARN/A
BindingDB50377955
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31314B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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