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	MLS000568787
Molecular formula	C23H28N2O6
IUPAC name	N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-4-methoxy-3-nitrobenzamide
Molecular weight	428.485
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	Oprea1_586379 AKOS000549562 MCULE-4271728711 N-[1-(3,4-Dimethoxy-phenyl)-cyclohexylmethyl]-4-methoxy-3-nitro-benzamide ST50261485 CCG-3991 N-{[(3,4-dimethoxyphenyl)cyclohexyl]methyl}(4-methoxy-3-nitrophenyl)carboxamid e cid_1082207 SCHEMBL14427583 BAS 02141301 N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-4-methoxy-3-nitro-benzamide ZINC797599 Oprea1_169821 AC1LLCJN HMS2551O20 MolPort-001-974-889 SMR000177405 BDBM81045 N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-4-methoxy-3-nitrobenzamide CHEMBL1501009 [ Show all ]
Inchi Key	ABVCHPLRGDKQBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N2O6/c1-29-19-9-7-16(13-18(19)25(27)28)22(26)24-15-23(11-5-4-6-12-23)17-8-10-20(30-2)21(14-17)31-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,24,26)
PubChem CID	1082207
ChEMBL	CHEMBL1501009
IUPHAR	N/A
BindingDB	N/A
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
1208	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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