BioLiP

PDB

BioLiP

PDB CCD ID:

A1CWF

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 O

InChI:

InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)

InChIKey:

QIKYZXDTTPVVAC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(N)c1ccc(N)cc1
CACTVS 3.385	NC(=O)c1ccc(N)cc1
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1C(=O)N)N

Name:

4-aminobenzamide

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).