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BioLiP

PDB CCD ID: A1H4W
Number of entries in BioLiP: 2
Chemical formula: C17 H19 N O5
InChI: InChI=1S/C17H19NO5/c19-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)18-10-17(22)6-2-1-3-7-17/h4-5,8-9,19,22H,1-3,6-7,10H2,(H,18,21)
InChIKey: LEGRYHJSBGMPHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1O)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O
CACTVS 3.385Oc1ccc2OC(=CC(=O)c2c1)C(=O)NCC3(O)CCCCC3
Name:6-oxidanyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
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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