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BioLiP

PDB CCD ID: KRB
Number of entries in BioLiP: 0
Chemical formula: C18 H15 N O2
InChI: InChI=1S/C18H15NO2/c20-17(10-13-6-2-1-3-7-13)18(21)11-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2
InChIKey: AWNMAACWZSNOOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C(Cc1ccccc1)C(=O)Cc2c[nH]c3ccccc23
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3
ACDLabs 10.04O=C(C(=O)Cc2c1ccccc1nc2)Cc3ccccc3
Name:KURASOIN B;
1-(2H-INDOL-3-YL)-4-PHENYL-BUTANE-2,3-DIONE
ChEMBL: CHEMBL1233879
ZINC: ZINC000006529329
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)(download the PDF file).
  • 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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