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BioLiP

PDB CCD ID: 5O4
Number of entries in BioLiP: 1
Chemical formula: C16 H11 N3 O
InChI: InChI=1S/C16H11N3O/c1-2-4-11(5-3-1)16-14-13(18-19-16)6-8-17-15(14)12-7-9-20-10-12/h1-10H,(H,18,19)
InChIKey: DRFVQTUGIGMXRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2
CACTVS 3.385[nH]1nc2ccnc(c3cocc3)c2c1c4ccccc4
Name:4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine
ChEMBL: CHEMBL3809487
ZINC: ZINC000584904774
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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