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BioLiP Library

PDB CCD ID: O0W
Number of entries in BioLiP: 4
Chemical formula: C21 H22 N4 O2
InChI: InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3
InChIKey: ZDDPECPWLZOLGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C
CACTVS 3.385CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNCC4)c5occc5C1=O
Name:5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one
ChEMBL: CHEMBL4634366
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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