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BioLiP

PDB CCD ID: B6R
Number of entries in BioLiP: 1
Chemical formula: C23 H13 F2 N3 O3
InChI: InChI=1S/C23H13F2N3O3/c1-31-14-6-4-5-12(9-14)19-17(24)10-13(11-18(19)25)28-21-20(26-27-28)22(29)15-7-2-3-8-16(15)23(21)30/h2-11H,1H3
InChIKey: MBRGIUONQXHXCP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
OpenEye OEToolkits 2.0.6COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F
Name:3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione
ChEMBL: CHEMBL4648164
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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