BioLiP

PDB

BioLiP

PDB CCD ID:

LJA

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O2

InChI:

InChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)

InChIKey:

GVNXANNAMKHSRF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1cccc(NC(N)=O)c1
ACDLabs 12.01	N(C(C)=O)c1cccc(c1)NC(N)=O
OpenEye OEToolkits 2.0.6	CC(=O)Nc1cccc(c1)NC(=O)N

Name:

N-[3-(carbamoylamino)phenyl]acetamide

ZINC:

ZINC000000349236

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).