Zhang Lab

National University of Singapore

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	VU0366037-2
Molecular formula	C19H13Cl2N3O2
IUPAC name	N-[3-chloro-4-[(2-chlorobenzoyl)amino]phenyl]pyridine-2-carboxamide
Molecular weight	386.232
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.1
Synonyms	cid_46869941 N-[3-chloranyl-4-[(2-chlorophenyl)carbonylamino]phenyl]pyridine-2-carboxamide N-[3-chloro-4-[[(2-chlorophenyl)-oxomethyl]amino]phenyl]-2-pyridinecarboxamide ZINC66076277 1266338-10-6 KB-69606 BDBM55083 N-[3-chloro-4-[(2-chlorobenzoyl)amino]phenyl]picolinamide SMR001875505 CHEMBL1672238 2-Pyridinecarboxamide,N-[3-chloro-4-[(2-chlorobenzoyl)amino]phenyl]- MLS003171620 CHEBI:92697 N-[3-chloro-4-[(2-chlorobenzoyl)amino]phenyl]pyridine-2-carboxamide [ Show all ]
Inchi Key	MTELUFOIWGSEFF-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	46869941
ChEMBL	CHEMBL1672238
IUPHAR	N/A
BindingDB	55083
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
213635	Metabotropic glutamate receptor 4	P31423	Grm4	Rattus norvegicus (Rat)	912
213636	Metabotropic glutamate receptor 4	Q14833	GRM4	Homo sapiens (Human)	912
213637	Metabotropic glutamate receptor 7	P35400	Grm7	Rattus norvegicus (Rat)	915
213638	Metabotropic glutamate receptor 8	P70579	Grm8	Rattus norvegicus (Rat)	908

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417