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BioLiP Library

PDB CCD ID: YK9
Number of entries in BioLiP: 1
Chemical formula: C19 H11 N3 O
InChI: InChI=1S/C19H11N3O/c23-18-12-5-2-1-4-11(12)17-13(18)6-3-7-14(17)19-21-15-8-9-20-10-16(15)22-19/h1-10H,(H,21,22)
InChIKey: MAPDUHHTXROZLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C4c3cccc(c2nc1cnccc1n2)c3c5ccccc45
OpenEye OEToolkits 1.7.2c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4
CACTVS 3.370O=C1c2ccccc2c3c(cccc13)c4[nH]c5ccncc5n4
Name:4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE
ChEMBL: CHEMBL1917725
ZINC: ZINC000073196873
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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