BioLiP

PDB

BioLiP

PDB CCD ID:

X9O

Number of entries in BioLiP:

Chemical formula:

C20 H21 N5 O2

InChI:

InChI=1S/C20H21N5O2/c1-12-10-18(16(22)11-19(12)26)25-24-14-8-6-13(7-9-14)20(27)23-17-5-3-2-4-15(17)21/h2-11,24-26H,21-22H2,1H3,(H,23,27)

InChIKey:

DDVSAMWBZOAVGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N
CACTVS 3.385	Cc1cc(NNc2ccc(cc2)C(=O)Nc3ccccc3N)c(N)cc1O

Name:

~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide

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).