BioLiP

PDB

BioLiP

PDB CCD ID:

YVW

Number of entries in BioLiP:

Chemical formula:

C12 H13 N3 O

InChI:

InChI=1S/C12H13N3O/c16-12-7-13-11(6-14-12)10-5-8-3-1-2-4-9(8)15-10/h1-5,11,13,15H,6-7H2,(H,14,16)/t11-/m0/s1

InChIKey:

AKZZWJXICXKZDI-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cc([nH]2)[C@@H]3CNC(=O)CN3
CACTVS 3.385	O=C1CN[C@@H](CN1)c2[nH]c3ccccc3c2
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cc([nH]2)C3CNC(=O)CN3
CACTVS 3.385	O=C1CN[CH](CN1)c2[nH]c3ccccc3c2

Name:

(5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one

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).