BioLiP

PDB

BioLiP

PDB CCD ID:

QYZ

Number of entries in BioLiP:

Chemical formula:

C14 H11 N O2

InChI:

InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+

InChIKey:

DWJWWZSAYOTJGO-XYOKQWHBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)C=C2c3ccccc3NC2=O
CACTVS 3.385	Cc1oc(cc1)C=C2C(=O)Nc3ccccc23
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O
CACTVS 3.385	Cc1oc(cc1)/C=C2/C(=O)Nc3ccccc23

Name:

(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one

ChEMBL:

CHEMBL89697

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).