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BioLiP

PDB CCD ID: EB0
Number of entries in BioLiP: 1
Chemical formula: C19 H15 F N2 O3 S
InChI: InChI=1S/C19H15FN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
InChIKey: SUFMFRWLORNKTP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)Nc4ccc(F)cc4
OpenEye OEToolkits 1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F
ACDLabs 12.01CCN2C(=O)c1c3c(ccc1)c(ccc23)S(=O)(=O)Nc4ccc(F)cc4
Name:1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
ChEMBL: CHEMBL3780398
ZINC: ZINC000001463014
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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