BioLiP

PDB

BioLiP

PDB CCD ID:

93K

Number of entries in BioLiP:

Chemical formula:

C7 H9 N3 O

InChI:

InChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11)

InChIKey:

RGJXMMUQTCONEI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(cc1C(=O)N)N)N
CACTVS 3.385	NC(=O)c1ccc(N)c(N)c1

Name:

3,4-bis(azanyl)benzamide

ZINC:

ZINC000021987657

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).