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 ●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

NameCHEMBL1762259
Molecular formulaC19H24N4O3S
IUPAC name1-tert-butyl-3-[4-(2,3-dihydro-1H-inden-1-ylamino)pyridin-3-yl]sulfonylurea
Molecular weight388.486
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50340976
(+/-)-N-(tert-butylcarbamoyl)-4-(2,3-dihydro-1H-inden-1-ylamino)pyridine-3-sulfonamide
Inchi KeyGHEZILJZCGFHBE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N4O3S/c1-19(2,3)22-18(24)23-27(25,26)17-12-20-11-10-16(17)21-15-9-8-13-6-4-5-7-14(13)15/h4-7,10-12,15H,8-9H2,1-3H3,(H,20,21)(H2,22,23,24)
PubChem CID54583450
ChEMBLCHEMBL1762259
IUPHARN/A
BindingDB50340976
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
96419Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
96420Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417