BioLiP

PDB

BioLiP

PDB CCD ID:

WE5

Number of entries in BioLiP:

Chemical formula:

C12 H13 N O3

InChI:

InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1

InChIKey:

OIAHHVOKOCPNJP-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)C1CC(=O)N(C1)c2ccccc2
CACTVS 3.385	COC(=O)[CH]1CN(C(=O)C1)c2ccccc2
CACTVS 3.385	COC(=O)[C@H]1CN(C(=O)C1)c2ccccc2
ACDLabs 12.01	O=C(OC)C1CC(=O)N(C1)c1ccccc1
OpenEye OEToolkits 2.0.7	COC(=O)[C@@H]1CC(=O)N(C1)c2ccccc2

Name:

methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate

ZINC:

ZINC000000050103

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).