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BioLiP

PDB CCD ID: Q6X
Number of entries in BioLiP: 2
Chemical formula: C10 H10 F N O3
InChI: InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)
InChIKey: YSKWGOCVDOEFKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(CC(=O)O)C(=O)c1ccc(cc1)F
CACTVS 3.385CN(CC(O)=O)C(=O)c1ccc(F)cc1
ACDLabs 12.01O=C(c1ccc(F)cc1)N(C)CC(=O)O
Name:N-(4-fluorobenzoyl)-N-methylglycine
ChEMBL: CHEMBL308007
ZINC: ZINC000013822447
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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