BioLiP

PDB

BioLiP

PDB CCD ID:

FIL

Number of entries in BioLiP:

Chemical formula:

C15 H20 N2 O4

InChI:

InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+

InChIKey:

STTRYQAGHGJXJJ-LICLKQGHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=NOC(=O)N)c1ccc(c(c1)OC2CCCC2)OC
CACTVS 3.341	COc1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O
OpenEye OEToolkits 1.5.0	C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC
CACTVS 3.341	COc1ccc(cc1OC2CCCC2)C(/C)=N/OC(N)=O

Name:

(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME;
FILAMINAST

ChEMBL:

CHEMBL590754

DrugBank:

DB02660

ZINC:

ZINC000000000308

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).