BioLiP

PDB

BioLiP

PDB CCD ID:

LOK

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O4

InChI:

InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey:

BQFREXSKWBUSAP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)Nc1cccc(c1)NC(=O)OC
CACTVS 3.385	COC(=O)Nc1cccc(NC(=O)OC)c1

Name:

methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate

ZINC:

ZINC000000476364

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).