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BioLiP

PDB CCD ID: 7SE
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.385O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nn(n2)C3CCC(=O)NC3=O
CACTVS 3.385O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1
Name:(3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione
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).
  • 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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