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BioLiP

PDB CCD ID: JFG
Number of entries in BioLiP: 4
Chemical formula: C21 H18 N4 O
InChI: InChI=1S/C21H18N4O/c1-14-8-9-15(2)22-20(14)21(26)23-17-10-11-18-12-19(24-25(18)13-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)
InChIKey: SGINYCKQAHKPGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccccc4
ACDLabs 12.01Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1ccccc1
OpenEye OEToolkits 2.0.7Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c4ccccc4)C
Name:3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-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)(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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