BioLiP

PDB

BioLiP

PDB CCD ID:

A1EDB

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O

InChI:

InChI=1S/C11H13NO/c1-8-2-4-9(5-3-8)11(13)12-10-6-7-10/h2-5,10H,6-7H2,1H3,(H,12,13)

InChIKey:

BRCUSPLHYFOGLC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)C(=O)NC2CC2

Name:

~{N}-cyclopropyl-4-methyl-benzamide

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).