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BioLiP

PDB CCD ID: H3H
Number of entries in BioLiP: 3
Chemical formula: C20 H19 N3 O2
InChI: InChI=1S/C20H19N3O2/c1-13(2)25-16-6-4-5-14(9-16)17-12-24-19-8-7-18(22-20(17)19)15-10-21-23(3)11-15/h4-13H,1-3H3
InChIKey: QSJHQGFGDSZWSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)Oc1cccc(c1)c2coc3ccc(nc23)c4cnn(C)c4
OpenEye OEToolkits 2.0.6CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C
Name:5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
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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