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BioLiP

PDB CCD ID: WQS
Number of entries in BioLiP: 1
Chemical formula: C10 H8 F N O3
InChI: InChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKey: GOJAJUSLXBXIJY-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)[C@@H](C(=O)N2)CC(=O)O
CACTVS 3.385OC(=O)C[CH]1C(=O)Nc2ccc(F)cc12
CACTVS 3.385OC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc12
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)C(C(=O)N2)CC(=O)O
Name:2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid
ZINC: ZINC000100056944
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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