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BioLiP

PDB CCD ID: A7F
Number of entries in BioLiP: 8
Chemical formula: C20 H11 N3 O2
InChI: InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
InChIKey: KAJXOWFGKYKMMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
CACTVS 3.385O=C1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
ACDLabs 12.01O=C1NC(=O)c2c3c4ccccc4[NH]c3c3[NH]c4ccccc4c3c21
Name:Arcyriaflavin A;
12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
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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