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BioLiP

PDB CCD ID: YG0
Number of entries in BioLiP: 3
Chemical formula: C10 H11 N O
InChI: InChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
InChIKey: OCHYJSATRBHPLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)C2CC2
CACTVS 3.385O=C(Nc1ccccc1)C2CC2
ACDLabs 12.01O=C(Nc1ccccc1)C1CC1
Name:N-phenylcyclopropanecarboxamide
ZINC: ZINC000013953909
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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