BioLiP

PDB

BioLiP

PDB CCD ID:

ODS

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O2

InChI:

InChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)

InChIKey:

KNWWGBNAUNTSRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)N1CCN(C)CC1
CACTVS 3.370	CN1CCN(CC1)C(O)=O
OpenEye OEToolkits 1.7.0	CN1CCN(CC1)C(=O)O

Name:

4-methylpiperazine-1-carboxylic acid

DrugBank:

DB04451

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).