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BioLiP Library

PDB CCD ID: 7V8
Number of entries in BioLiP: 0
Chemical formula: C31 H32 N8 O5
InChI: InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41)
InChIKey: VGHSATQVJCTKEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n2)C(=O)Nc4cc(OCCN)c5ccccc5n4
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(cc(n2)NC(=O)c3cc(cc(n3)C(=O)Nc4cc(c5ccccc5n4)OCCN)OCCN)OCCN
Name:4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;
Pyridostatin
ChEMBL: CHEMBL2349416
ZINC: ZINC000059151964
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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