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BioLiP

PDB CCD ID: ZUQ
Number of entries in BioLiP: 1
Chemical formula: C15 H13 Cl N4 O3
InChI: InChI=1S/C15H13ClN4O3/c16-10-6-18-15-13(22-7-23-15)12(10)19-9-3-4-17-11(5-9)20-14(21)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,18,19,20,21)
InChIKey: WJASKODGMHBDFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4
CACTVS 3.385Clc1cnc2OCOc2c1Nc3ccnc(NC(=O)C4CC4)c3
Name:N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide
ChEMBL: CHEMBL3818173
ZINC: ZINC000584905725
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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