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BioLiP

PDB CCD ID: T7B
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.385O=C1NC(=O)[C]2(CCc3ccccc23)N1
ACDLabs 12.01O=C1NC(=O)NC21CCc1ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCC23C(=O)NC(=O)N3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CC[C@@]23C(=O)NC(=O)N3
CACTVS 3.385O=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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