BioLiP

PDB

BioLiP

PDB CCD ID:

UXA

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O3

InChI:

InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)

InChIKey:

OUGQMSXIPFSZBI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1C(=O)NC3CC3)OCO2
ACDLabs 12.01	c1(cc2c(cc1)OCO2)C(NC3CC3)=O
CACTVS 3.385	O=C(NC1CC1)c2ccc3OCOc3c2

Name:

~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide

ZINC:

ZINC000002737565

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).