BioLiP

PDB

BioLiP

PDB CCD ID:

28T

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2 O4

InChI:

InChI=1S/C13H20N2O4/c16-11(9-3-1-7-14-9)5-6-12(17)15-8-2-4-10(15)13(18)19/h9-10,14H,1-8H2,(H,18,19)/t9-,10-/m0/s1

InChIKey:

FCVBOVVXXBUFFZ-UWVGGRQHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCN1C(=O)CCC(=O)[CH]2CCCN2
ACDLabs 12.01	O=C(N1C(C(=O)O)CCC1)CCC(=O)C2NCCC2
CACTVS 3.385	OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@@H]2CCCN2
OpenEye OEToolkits 1.7.6	C1CC(NC1)C(=O)CCC(=O)N2CCCC2C(=O)O
OpenEye OEToolkits 1.7.6	C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O

Name:

1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline

ZINC:

ZINC000098208111

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).