BioLiP

PDB

BioLiP

PDB CCD ID:

T7B

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O2

InChI:

InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1

InChIKey:

CDALGRHRPPTQPM-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1NC(=O)[C]2(CCc3ccccc23)N1
ACDLabs 12.01	O=C1NC(=O)NC21CCc1ccccc12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCC23C(=O)NC(=O)N3
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CC[C@@]23C(=O)NC(=O)N3
CACTVS 3.385	O=C1NC(=O)[C@@]2(CCc3ccccc23)N1

Name:

(1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione

ZINC:

ZINC000003258337

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).