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BioLiP

PDB CCD ID: YFJ
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N3 O
InChI: InChI=1S/C16H13N3O/c20-16-15-13(6-9-18-16)12-3-1-2-11(14(12)19-15)10-4-7-17-8-5-10/h1-5,7-8,19H,6,9H2,(H,18,20)
InChIKey: SLQNWICAFNPZCB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NCCc2c1[nH]c3c2cccc3c4ccncc4
OpenEye OEToolkits 2.0.7c1cc2c3c([nH]c2c(c1)c4ccncc4)C(=O)NCC3
Name:8-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-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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