BioLiP

PDB

BioLiP

PDB CCD ID:

PMQ

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

InChI=1S/C8H9NO2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)

InChIKey:

RRIWSQXXBIFKQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)NCc1ccccc1
OpenEye OEToolkits 1.9.2	c1ccc(cc1)CNC(=O)O
ACDLabs 12.01	O=C(O)NCc1ccccc1

Name:

benzylcarbamic acid

ZINC:

ZINC000011535717

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).