BioLiP

PDB

BioLiP

PDB CCD ID:

D3H

Number of entries in BioLiP:

Chemical formula:

C8 H11 N3 O

InChI:

InChI=1S/C8H11N3O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,9-10H2,(H,11,12)

InChIKey:

DKCWGVIARWBMDV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1N)NC(=O)CN
CACTVS 3.385	NCC(=O)Nc1ccc(N)cc1

Name:

~{N}-(4-aminophenyl)-2-azanyl-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).