BioLiP

PDB

BioLiP

PDB CCD ID:

A51

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O2

InChI:

InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2/b9-8+

InChIKey:

BKXNPYSVWOVZGX-CMDGGOBGSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O=C1OCCC1=CNc2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)N\C=C\2/CCOC2=O
CACTVS 3.341	O=C1OCC\C1=C/Nc2ccccc2
ACDLabs 10.04	O=C/2OCCC\2=C\Nc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)NC=C2CCOC2=O

Name:

(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one

ChEMBL:

CHEMBL486921

DrugBank:

DB07317

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).