Zhang Lab

National University of Singapore

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 ●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	CHEMBL368457
Molecular formula	C20H24N2O2
IUPAC name	1-(tert-butylamino)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
Molecular weight	324.424
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.6
Synonyms	SR-01000061055-1 9H-Fluoren-9-one O-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]oxime LS-187328 BDBM50026853 SMR000343677 1-(tert-butylamino)-3-(fluoren-9-ylideneamino)oxypropan-2-ol Fluoren-9-one O-(3-tert-butylamino-2-hydroxy-propyl)-oxime AC1L3TIJ MLS000770178 SR-01000061055 HMS2678K19 AKOS001091104 NCGC00246110-01 [ Show all ]
Inchi Key	DSKDPDQUXBBVRD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3
PubChem CID	121848
ChEMBL	CHEMBL368457
IUPHAR	N/A
BindingDB	50026853
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
67673	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
67671	Beta-2 adrenergic receptor	Q28044	ADRB2	Bos taurus (Bovine)	418
67672	Beta-2 adrenergic receptor	Q8K4Z4	Adrb2	Cavia porcellus (Guinea pig)	418
444358	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417