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	MLS000583267
Molecular formula	C23H22N2O4
IUPAC name	3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one
Molecular weight	390.439
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.5
Synonyms	MolPort-000-789-887 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)propan-1-one AKOS022093581 CHEMBL1510469 3-(4-methoxyphenyl)-3-(4-nitroanilino)-1-(p-tolyl)propan-1-one MCULE-3399564790 AC1MH57C BDBM31354 SMR000201103 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]-1-propanone cid_2971621 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(4-nitroanilino)-1-propanone AKOS003597378 STK877624 3-(4-methoxyphenyl)-1-(4-methylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one HMS2545H13 724755-17-3 [ Show all ]
Inchi Key	AZIQFIZOMWOWDB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N2O4/c1-16-3-5-18(6-4-16)23(26)15-22(17-7-13-21(29-2)14-8-17)24-19-9-11-20(12-10-19)25(27)28/h3-14,22,24H,15H2,1-2H3
PubChem CID	2971621
ChEMBL	CHEMBL1510469
IUPHAR	N/A
BindingDB	31354
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
18188	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
18189	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
18190	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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