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

NameSMR000140824
Molecular formulaC15H12Cl3N3O
IUPAC nameN-(3-chloroanilino)-N'-(2,4-dichlorophenyl)-2-oxopropanimidamide
Molecular weight356.631
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.6
SynonymsAC1LXCO8
MolPort-002-176-307
ZINC15985871
N-(3-chloroanilino)-N''-(2,4-dichlorophenyl)-2-keto-propionamidine
MCULE-3683405676
[ Show all ]
Inchi KeyBDIBTQWWJZOREX-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H12Cl3N3O/c1-9(22)15(19-14-6-5-11(17)8-13(14)18)21-20-12-4-2-3-10(16)7-12/h2-8,20H,1H3,(H,19,21)
PubChem CID1799038
ChEMBLCHEMBL1482637
IUPHARN/A
BindingDB57123
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20952Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
20951Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
20950Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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