BioLiP

PDB

BioLiP

PDB CCD ID:

A1A4G

Number of entries in BioLiP:

Chemical formula:

C16 H15 N3 O2

InChI:

InChI=1S/C16H15N3O2/c20-15-10-11-16(21)19(15)14-8-6-13(7-9-14)18-17-12-4-2-1-3-5-12/h1-9,17-18H,10-11H2

InChIKey:

XQZVOVPQWDSFBG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NNc2ccc(cc2)N3C(=O)CCC3=O
ACDLabs 14.52	O=C1CCC(=O)N1c1ccc(NNc2ccccc2)cc1
CACTVS 3.385	O=C1CCC(=O)N1c2ccc(NNc3ccccc3)cc2

Name:

1-[4-(2-phenylhydrazin-1-yl)phenyl]pyrrolidine-2,5-dione

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).