Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

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

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

You can:

Ligand

NameCHEMBL3144495
Molecular formulaC29H32N4O2
IUPAC name(2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
Molecular weight468.601
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP3.8
SynonymsN/A
Inchi KeyDBFWHAOBJXLIKL-IDISGSTGSA-N
Inchi IDInChI=1S/C29H32N4O2/c1-21(31-19-23-12-6-3-7-13-23)28(34)33-27(18-24-20-32-26-15-9-8-14-25(24)26)29(35)30-17-16-22-10-4-2-5-11-22/h2-15,20-21,27,31-32H,16-19H2,1H3,(H,30,35)(H,33,34)/t21-,27-/m0/s1
PubChem CID90663962
ChEMBLCHEMBL3144495
IUPHARN/A
BindingDBN/A
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
55609Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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