BioLiP

PDB

BioLiP

PDB CCD ID:

L7S

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O3

InChI:

InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1

InChIKey:

XGUUYQHDALENIF-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N
OpenEye OEToolkits 1.7.6	CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N
CACTVS 3.385	CCN1C(=O)C[CH](C1=O)c2cccc(c2)C(N)=O
CACTVS 3.385	CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(N)=O
ACDLabs 12.01	O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC

Name:

3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide

ZINC:

ZINC000263621215

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).