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BioLiP

PDB CCD ID: EO0
Number of entries in BioLiP: 1
Chemical formula: C24 H24 N2 O3 S
InChI: InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
InChIKey: KZKZVXAMNPTZPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC
CACTVS 3.385CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
Name:9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
ChEMBL: CHEMBL4216752
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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