BioLiP

PDB

BioLiP

PDB CCD ID:

45L

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O

InChI:

InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)

InChIKey:

XFNNAMBYJSQXKF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NN)c1cccc(c1)C
CACTVS 3.385 OpenEye OEToolkits 1.9.2	Cc1cccc(c1)C(=O)NN

Name:

3-methylbenzohydrazide

ZINC:

ZINC000000280882

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).