BioLiP

PDB

BioLiP

PDB CCD ID:

A1IW6

Number of entries in BioLiP:

Chemical formula:

C13 H12 N2 O2

InChI:

InChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-8-7-9-3-1-2-4-10(9)15/h1-4,7-8,11H,5-6H2,(H,14,16,17)/t11-/m0/s1

InChIKey:

PECBNOFEMHFECB-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1CC[CH](n2ccc3ccccc23)C(=O)N1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ccn2C3CCC(=O)NC3=O
CACTVS 3.385	O=C1CC[C@H](n2ccc3ccccc23)C(=O)N1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ccn2[C@H]3CCC(=O)NC3=O

Name:

(3~{S})-3-indol-1-ylpiperidine-2,6-dione

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).