BioLiP

PDB

BioLiP

PDB CCD ID:

3BY

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey:

CWLQUGTUXBXTLF-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CN1CCCC1C(=O)O
CACTVS 3.385	CN1CCC[C@H]1C(O)=O
OpenEye OEToolkits 1.7.6	CN1CCC[C@H]1C(=O)O
CACTVS 3.385	CN1CCC[CH]1C(O)=O
ACDLabs 12.01	O=C(O)C1CCCN1C

Name:

1-methyl-L-proline

ZINC:

ZINC000000403075

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).