BioLiP

PDB

BioLiP

PDB CCD ID:

Z1L

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O2

InChI:

InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)

InChIKey:

PEQKOXWTSSMZHA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C1(Nc2ccccc2)CC1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC2(CC2)C(=O)O
CACTVS 3.385	OC(=O)C1(CC1)Nc2ccccc2

Name:

1-anilinocyclopropane-1-carboxylic acid

ZINC:

ZINC000143772888

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).