BioLiP

PDB

BioLiP

PDB CCD ID:

9V7

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O2

InChI:

InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)

InChIKey:

PWXJULSLLONQHY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)NC(=O)O
CACTVS 3.385	OC(=O)Nc1ccccc1
ACDLabs 12.01	N(C(O)=O)c1ccccc1

Name:

phenylcarbamic acid

ZINC:

ZINC000013520889

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).