BioLiP

PDB

BioLiP

PDB CCD ID:

SUI

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O4

InChI:

InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1

InChIKey:

DXYLVSIXCGPUHP-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N(C(=O)CC1N)CC(=O)O
CACTVS 3.341	N[C@H]1CC(=O)N(CC(O)=O)C1=O
OpenEye OEToolkits 1.5.0	C1[C@@H](C(=O)N(C1=O)CC(=O)O)N
CACTVS 3.341	N[CH]1CC(=O)N(CC(O)=O)C1=O
OpenEye OEToolkits 1.5.0	C1C(C(=O)N(C1=O)CC(=O)O)N

Name:

(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID

ZINC:

ZINC000033478574

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).