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BioLiP

PDB CCD ID: RYG
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N2 O3
InChI: InChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15)/t8-/m1/s1
InChIKey: KMCPPIBDTMYPRI-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O
OpenEye OEToolkits 2.0.6c1cc(oc1)C(=O)NC2CCCCNC2=O
CACTVS 3.385O=C1NCCCC[C@H]1NC(=O)c2occc2
CACTVS 3.385O=C1NCCCC[CH]1NC(=O)c2occc2
Name:~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide
ZINC: ZINC000000153520
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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