BioLiP

PDB

BioLiP

PDB CCD ID:

3WX

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1

InChIKey:

LWHHAVWYGIBIEU-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C[C@]1(CCCN1)C(=O)O
CACTVS 3.385	C[C@]1(CCCN1)C(O)=O
OpenEye OEToolkits 1.9.2	CC1(CCCN1)C(=O)O
CACTVS 3.385	C[C]1(CCCN1)C(O)=O
ACDLabs 12.01	O=C(O)C1(NCCC1)C

Name:

2-methyl-L-proline

ZINC:

ZINC000001655434

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).