BioLiP

PDB

BioLiP

PDB CCD ID:

LI7

Number of entries in BioLiP:

Chemical formula:

C14 H10 N2 O2

InChI:

InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)

InChIKey:

ZJASRZFZRYISET-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C3C(=N/c1ccc(O)cc1)\c2ccccc2N3
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2
CACTVS 3.341	Oc1ccc(cc1)N=C2C(=O)Nc3ccccc23
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)C(=Nc3ccc(cc3)O)C(=O)N2

Name:

(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE

DrugBank:

DB03650

ZINC:

ZINC000018137759

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).