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BioLiP Library

PDB CCD ID: 8ET
Number of entries in BioLiP: 2
Chemical formula: C15 H11 N3 O
InChI: InChI=1S/C15H11N3O/c19-15(11-4-2-8-16-10-11)18-14-7-1-6-13-12(14)5-3-9-17-13/h1-10H,(H,18,19)
InChIKey: OLVQCHMCFCRHSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3
CACTVS 3.385O=C(Nc1cccc2ncccc12)c3cccnc3
Name:~{N}-quinolin-5-ylpyridine-3-carboxamide
ChEMBL: CHEMBL1343177
ZINC: ZINC000000556491
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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