BioLiP

PDB

BioLiP

PDB CCD ID:

7SE

Number of entries in BioLiP:

Chemical formula:

C11 H10 N4 O2

InChI:

InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1

InChIKey:

QFGWCBAWFMYBCK-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)nn(n2)C3CCC(=O)NC3=O
CACTVS 3.385	O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1

Name:

(3S)-3-(benzotriazol-2-yl)piperidine-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).