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BioLiP

PDB CCD ID: EB9
Number of entries in BioLiP: 1
Chemical formula: C19 H16 N2 O3 S
InChI: InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
InChIKey: LIRJKOSHTDJEPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4
CACTVS 3.385CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4)ccc1c23
ACDLabs 12.01CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4ccccc4
Name:N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
ChEMBL: CHEMBL3781755
ZINC: ZINC000000754466
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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