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BioLiP

PDB CCD ID: 66Y
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O
InChI: InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1
InChIKey: DDUFYKNOXPZZIW-CRCLSJGQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1[C@@H]2C=C[C@H]1NC2=O
ACDLabs 12.01C1C2NC(=O)C1C=C2
CACTVS 3.385O=C1N[C@H]2C[C@@H]1C=C2
CACTVS 3.385O=C1N[CH]2C[CH]1C=C2
OpenEye OEToolkits 2.0.4C1C2C=CC1NC2=O
Name:(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one
ZINC: ZINC000000158452
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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