BioLiP

PDB

BioLiP

PDB CCD ID:

A1AX8

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O

InChI:

InChI=1S/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)

InChIKey:

VYBKAZXQKUFAHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Cc1ccc(cc1N)C(N)=O
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1N)C(=O)N

Name:

3-amino-4-methylbenzamide

ChEMBL:

CHEMBL3187466

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).