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	AC1OCRI6
Molecular formula	C16H29N3O2
IUPAC name	(4E)-4-hydroxyimino-1-piperidin-1-yl-2-(piperidin-1-ylmethyl)pentan-3-one
Molecular weight	295.427
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	STK298432 (4E)-4-(hydroxyimino)-1-(piperidin-1-yl)-2-(piperidin-1-ylmethyl)pentan-3-one 32248-36-5 MolPort-000-715-178 AKOS000650295 (4E)-4-hydroxyimino-1-piperidin-1-yl-2-(piperidin-1-ylmethyl)pentan-3-one CHEMBL3195721 5-Piperidin-1-yl-4-piperidin-1-ylmethyl-pentane-2,3-dione 2-oxime REGID_for_CID_6948318 BAS 02975552 (E)-4-(hydroxyimino)-1-(piperidin-1-yl)-2-(piperidin-1-ylmethyl)pentan-3-one HMS1675G22 [ Show all ]
Inchi Key	DIOOSUUGLJQHEO-SAPNQHFASA-N
Inchi ID	InChI=1S/C16H29N3O2/c1-14(17-21)16(20)15(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h15,21H,2-13H2,1H3/b17-14+
PubChem CID	6948318
ChEMBL	CHEMBL3195721
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
60933	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
470459	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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