BioLiP

PDB

BioLiP

PDB CCD ID:

L5W

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O2

InChI:

InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8-

InChIKey:

AHBXSKNCOQIRKT-FKQCQYRASA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONC(=O)C12CCC(CC1)C2
OpenEye OEToolkits 2.0.7	C1CC2(CCC1C2)C(=O)NO

Name:

~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide

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).