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BioLiP

PDB CCD ID: EB7
Number of entries in BioLiP: 1
Chemical formula: C19 H14 Cl F N2 O3 S
InChI: InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3
InChIKey: JRNIXDMQFKHQLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23
OpenEye OEToolkits 1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F
ACDLabs 12.01Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC
Name:2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
ChEMBL: CHEMBL3780706
ZINC: ZINC000263620618
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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