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

NameMLS000572570
Molecular formulaC15H15ClN4O
IUPAC name2-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Molecular weight302.762
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
SynonymsSMR000194069
N''-{4-[(2-chlorobenzyl)oxy]benzylidene}carbonohydrazonic diamide
2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CHEMBL2369168
BDBM51808
[ Show all ]
Inchi KeyABHCKRUQSBLDMN-DJKKODMXSA-N
Inchi IDInChI=1S/C15H15ClN4O/c16-14-4-2-1-3-12(14)10-21-13-7-5-11(6-8-13)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
PubChem CID9586311
ChEMBLCHEMBL2369168
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
850Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
851Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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