BioLiP

PDB

BioLiP

PDB CCD ID:

OO1

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)9-8(10)11/h2-5,9H,1H3,(H,10,11)

InChIKey:

RHNSSYGTJAAVCR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(O)(=O)Nc1ccc(cc1)C
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)NC(=O)O
CACTVS 3.385	Cc1ccc(NC(O)=O)cc1

Name:

(4-methylphenyl)carbamic acid

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).