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	ASN 04421891
Molecular formula	C30H32N6O3
IUPAC name	3-[[benzyl(2-phenylethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
Molecular weight	524.625
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	GTPL5518 AKOS000785449 SCHEMBL2731341 3-[Benzylphenethylamino[1-(2-methoxyethyl)-1H-tetrazole-5-yl]methyl]-6-methoxyquinoline-2(1H)-one ASN04421891 6-methoxy-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-phenylethyl-(phenylmethyl)amino)methyl]-1H-quinolin-2-one MCULE-2696015926 3-[[benzyl(phenethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one D00DPX AC1ML126 Oprea1_176118 ASN-04421891 [ Show all ]
Inchi Key	JKKKHIBCTKIWFJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H32N6O3/c1-38-18-17-36-29(32-33-34-36)28(26-20-24-19-25(39-2)13-14-27(24)31-30(26)37)35(21-23-11-7-4-8-12-23)16-15-22-9-5-3-6-10-22/h3-14,19-20,28H,15-18,21H2,1-2H3,(H,31,37)
PubChem CID	3187704
ChEMBL	N/A
IUPHAR	5518
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
554030	Uracil nucleotide/cysteinyl leukotriene receptor	Q13304	GPR17	Homo sapiens (Human)	367

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