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BioLiP

PDB CCD ID: FXN
Number of entries in BioLiP: 2
Chemical formula: C11 H11 F N2 O S
InChI: InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)
InChIKey: JFUIHGAGFMFNRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc1cc2c(cc1)nc(c2)C(=O)NCCS
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)cc([nH]2)C(=O)NCCS
CACTVS 3.341Fc1ccc2[nH]c(cc2c1)C(=O)NCCS
Name:5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE;
FICA
DrugBank: DB03384
ZINC: ZINC000005889384
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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