BioLiP

PDB

BioLiP

PDB CCD ID:

FJ8

Number of entries in BioLiP:

Chemical formula:

C11 H12 N6 O

InChI:

InChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17)/b12-7+

InChIKey:

CVRGHXWTBXFGAR-KPKJPENVSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2
CACTVS 3.385 OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2

Name:

~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide

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).