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

NameCHEMBL292176
Molecular formulaC27H29N5O2
IUPAC name3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[2-(pyridin-3-ylmethylamino)acetyl]amino]propanamide
Molecular weight455.562
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.1
Synonyms3-(1H-Indol-3-yl)-N-phenethyl-2-{2-[(pyridin-3-ylmethyl)-amino]-acetylamino}-propionamide
BDBM50127523
Inchi KeyCERUDGRKJUYCGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O2/c33-26(19-29-17-21-9-6-13-28-16-21)32-25(15-22-18-31-24-11-5-4-10-23(22)24)27(34)30-14-12-20-7-2-1-3-8-20/h1-11,13,16,18,25,29,31H,12,14-15,17,19H2,(H,30,34)(H,32,33)
PubChem CID44300429
ChEMBLCHEMBL292176
IUPHARN/A
BindingDB50127523
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
40202Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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