Zhang Lab

University of Michigan

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

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	SMR000160814
Molecular formula	C24H18BrN3O4
IUPAC name	N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide
Molecular weight	492.329
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.1
Synonyms	2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoyl]-2-bromophenoxy}-N-phenylacetamide cid_6871588 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-benzofurancarboxamide BDBM41071 MolPort-019-756-141 N-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide CHEMBL1968356 N-[(E)-[4-(2-anilino-2-oxo-ethoxy)-3-bromo-phenyl]methyleneamino]benzofuran-2-carboxamide STK192864 AC1OB2Y4 MLS000324461 N-[[3-bromanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide BDBM88849 N-[(E)-[3-bromanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide N-[[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-benzofurancarboxamide 2-(4-{(E)-[2-(1-benzofuran-2-ylcarbonyl)hydrazinylidene]methyl}-2-bromophenoxy)-N-phenylacetamide cid_1018684 N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-1-benzofuran-2-carboxamide ZINC33334254 AKOS000333201 MolPort-002-970-418 N-[[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide N-[(E)-[4-(2-anilino-2-keto-ethoxy)-3-bromo-benzylidene]amino]coumarilamide [ Show all ]
Inchi Key	BIOLJPLPUJUMME-VULFUBBASA-N
Inchi ID	InChI=1S/C24H18BrN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)/b26-14+
PubChem CID	6871588
ChEMBL	CHEMBL1968356
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
24617	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
24616	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
24613	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
24615	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
24614	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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