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BioLiP

PDB CCD ID: JSM
Number of entries in BioLiP: 1
Chemical formula: C23 H25 N7 O2
InChI: InChI=1S/C23H25N7O2/c1-24-10-12-28(2)23(32)18-14-25-29(3)21(18)22(31)26-17-9-11-30-15-19(27-20(30)13-17)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12H2,1-3H3,(H,26,31)
InChIKey: DRIMVSLLPGICRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNCCN(C)C(=O)c1cnn(c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4)C
ACDLabs 12.01O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCNC
CACTVS 3.385CNCCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4
Name:N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
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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