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	Probes1_000120
Molecular formula	C21H24N2O2
IUPAC name	N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide
Molecular weight	336.435
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.2
Synonyms	AC1N750T MolPort-002-791-537 SCHEMBL4133783 CBDivE_011841 N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide STK089702 MCULE-2789817413 AKOS005394441 N-(2-methyl-1-propanoyl(4-1,2,3,4-tetrahydroquinolyl))-N-phenylacetamide SMR000114882 CHEMBL1557680 N-(2-methyl-1-propionyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide MLS000550503 Probes2_000122 BDBM86693 N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide ST018793 HMS2373G22 Oprea1_079875 [ Show all ]
Inchi Key	DRQJSDYVORTCEY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
PubChem CID	4271604
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86693
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
67195	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
555741	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
67197	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
67201	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
67193	Cysteinyl leukotriene receptor 1	Q9Y271	CYSLTR1	Homo sapiens (Human)	337
67194	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
555742	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
67199	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
67196	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
555740	Leukotriene B4 receptor 2	Q9NPC1	LTB4R2	Homo sapiens (Human)	358
67202	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
67200	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342
67198	Prostaglandin D2 receptor	Q13258	PTGDR	Homo sapiens (Human)	359
555739	Thromboxane A2 receptor	P21731	TBXA2R	Homo sapiens (Human)	343

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