BioLiP

PDB

BioLiP

PDB CCD ID:

CO0

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O2

InChI:

InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)/b15-11-

InChIKey:

FYVKHLSOIIPVEH-PTNGSMBKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccccc3
OpenEye OEToolkits 2.0.7	CN1C(=Cc2ccccc2)C(=O)Nc3ccccc3C1=O
OpenEye OEToolkits 2.0.7	CN1/C(=C\c2ccccc2)/C(=O)Nc3ccccc3C1=O
CACTVS 3.385	CN1C(=O)c2ccccc2NC(=O)\C1=C\c3ccccc3

Name:

(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione

ZINC:

ZINC000031333535

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).