BioLiP

PDB

BioLiP

PDB CCD ID:

LDL

Number of entries in BioLiP:

Chemical formula:

C19 H20 N8 O

InChI:

InChI=1S/C19H20N8O/c20-24-18(28)15-3-1-13(2-4-15)11-27-12-17(25-26-27)14-5-7-16(8-6-14)23-19-21-9-10-22-19/h1-8,12H,9-11,20H2,(H,24,28)(H2,21,22,23)

InChIKey:

FNWSHZHKFUFPQJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)C(=O)NN
CACTVS 3.385	NNC(=O)c1ccc(Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)cc1

Name:

4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide

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).