BioLiP

PDB

BioLiP

PDB CCD ID:

A1IDM

Number of entries in BioLiP:

Chemical formula:

C14 H12 Cl N3 O2

InChI:

InChI=1S/C14H12ClN3O2/c1-9-8-11(2-3-12(9)15)14(20)18-17-13(19)10-4-6-16-7-5-10/h2-8H,1H3,(H,17,19)(H,18,20)

InChIKey:

MMCCYSWGISEHQK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1cc(ccc1Cl)C(=O)NNC(=O)c2ccncc2

Name:

~{N}'-(4-chloranyl-3-methyl-phenyl)carbonylpyridine-4-carbohydrazide

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).