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BioLiP

PDB CCD ID: T8R
Number of entries in BioLiP: 3
Chemical formula: C22 H21 N O4
InChI: InChI=1S/C22H21NO4/c1-2-3-6-9-23-13-16(15-7-4-5-8-17(15)23)20-12-19(26)22-18(25)10-14(24)11-21(22)27-20/h4-5,7-8,10-13,24-25H,2-3,6,9H2,1H3
InChIKey: RZGZFONKKPMOLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCn1cc(C2=CC(=O)c3c(O)cc(O)cc3O2)c4ccccc14
OpenEye OEToolkits 2.0.7CCCCCn1cc(c2c1cccc2)C3=CC(=O)c4c(cc(cc4O3)O)O
Name:5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one
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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