BioLiP

PDB

BioLiP

PDB CCD ID:

PLJ

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1

InChIKey:

BLWYXBNNBYXPPL-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.7.6	COC(=O)C1CCCN1
CACTVS 3.370 OpenEye OEToolkits 1.7.6	COC(=O)[C@@H]1CCCN1
ACDLabs 12.01	O=C(OC)C1NCCC1

Name:

methyl L-prolinate

ZINC:

ZINC000053151192

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).