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

NameCHEMBL78487
Molecular formulaC22H37N3O
IUPAC name5-amino-N-[(1S)-1-(4-butylpyridin-2-yl)-2-cyclohexylethyl]pentanamide
Molecular weight359.558
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50093775
N-[(S)-1-(4-Butyl-2-pyridinyl)-2-cyclohexylethyl]-5-aminopentanamide
5-Amino-pentanoic acid [(S)-1-(4-butyl-pyridin-2-yl)-2-cyclohexyl-ethyl]-amide
Inchi KeyAAKQJTJLPOJEEF-NRFANRHFSA-N
Inchi IDInChI=1S/C22H37N3O/c1-2-3-9-19-13-15-24-20(16-19)21(17-18-10-5-4-6-11-18)25-22(26)12-7-8-14-23/h13,15-16,18,21H,2-12,14,17,23H2,1H3,(H,25,26)/t21-/m0/s1
PubChem CID44317458
ChEMBLCHEMBL78487
IUPHARN/A
BindingDB50093775
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
279B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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