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BioLiP

PDB CCD ID: EW0
Number of entries in BioLiP: 4
Chemical formula: C24 H22 Cl N3 O5 S
InChI: InChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29)
InChIKey: JEHVWVLILUTLQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC
CACTVS 3.385COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C
Name:7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide
ChEMBL: CHEMBL4747278
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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