Home Research Services Publications People Teaching Job Opening Facilities 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 BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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

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

NameCHEMBL3797382
Molecular formulaC15H16ClN3O
IUPAC name1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide
Molecular weight289.763
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50164680
Inchi KeyABZUKTGXQOQWLY-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H16ClN3O/c1-2-18-15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3,(H,18,20)
PubChem CID127046766
ChEMBLCHEMBL3797382
IUPHARN/A
BindingDB50164680
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
521476Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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