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 DMFold 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

NameVU0366037-2
Molecular formulaC19H13Cl2N3O2
IUPAC nameN-[3-chloro-4-[(2-chlorobenzoyl)amino]phenyl]pyridine-2-carboxamide
Molecular weight386.232
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.1
SynonymsCHEBI:92697
N-[3-chloro-4-[(2-chlorobenzoyl)amino]phenyl]pyridine-2-carboxamide
cid_46869941
N-[3-chloranyl-4-[(2-chlorophenyl)carbonylamino]phenyl]pyridine-2-carboxamide
N-[3-chloro-4-[[(2-chlorophenyl)-oxomethyl]amino]phenyl]-2-pyridinecarboxamide
[ Show all ]
Inchi KeyMTELUFOIWGSEFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13Cl2N3O2/c20-14-6-2-1-5-13(14)18(25)24-16-9-8-12(11-15(16)21)23-19(26)17-7-3-4-10-22-17/h1-11H,(H,23,26)(H,24,25)
PubChem CID46869941
ChEMBLCHEMBL1672238
IUPHARN/A
BindingDB55083
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
213635Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
213636Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
213637Metabotropic glutamate receptor 7P35400Grm7Rattus norvegicus (Rat)915
213638Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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