BioLiP

PDB

BioLiP

PDB CCD ID:

VKO

Number of entries in BioLiP:

Chemical formula:

C13 H15 N O3

InChI:

InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17)

InChIKey:

ZRJDEOZVQDFPRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccccc1CNC(=O)C2(CC2)C(=O)O
ACDLabs 12.01	O=C(O)C1(CC1)C(=O)NCc1ccccc1C
CACTVS 3.385	Cc1ccccc1CNC(=O)C2(CC2)C(O)=O

Name:

1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid

ZINC:

ZINC000050291265

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).