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BioLiP

PDB CCD ID: 1EL
Number of entries in BioLiP: 1
Chemical formula: C17 H14 N2 O2
InChI: InChI=1S/C17H14N2O2/c1-8-11-5-6-18-17(21)15(11)9(2)14-12-7-10(20)3-4-13(12)19-16(8)14/h3-4,6-7,19-20H,5H2,1-2H3
InChIKey: BYVREUYOPILHPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1N=CCc2c1c(c4c(c2C)nc3ccc(O)cc34)C
CACTVS 3.370Cc1c2CC=NC(=O)c2c(C)c3c1[nH]c4ccc(O)cc34
OpenEye OEToolkits 1.7.0Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2
Name:9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
ZINC: ZINC000058631642

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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