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BioLiP

PDB CCD ID: IWN
Number of entries in BioLiP: 4
Chemical formula: C19 H18 N6 O2
InChI: InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26)
InChIKey: XEUXRKFQXNOHIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1c(c(cn1)COC)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4
CACTVS 3.385COCc1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4
ACDLabs 12.01COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
Name:4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
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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