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BioLiP

PDB CCD ID: UX1
Number of entries in BioLiP: 3
Chemical formula: C12 H14 F N O
InChI: InChI=1S/C12H14FNO/c1-14-11(15)12(6-7-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15)
InChIKey: KIJYNTMPXZUXEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNC(=O)C1(CC1)Cc2ccccc2F
ACDLabs 12.01c1(c(cccc1)F)CC2(CC2)C(NC)=O
Name:1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
ZINC: ZINC000335883577
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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