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BioLiP

PDB CCD ID: 5GX
Number of entries in BioLiP: 1
Chemical formula: C21 H18 Cl N7
InChI: InChI=1S/C21H18ClN7/c1-13-16(12-28(2)27-13)20-25-19-18(17(22)9-23-21(19)26-20)15-8-24-29(11-15)10-14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,23,25,26)
InChIKey: IDYBEIZHMAGVLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5
CACTVS 3.385Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(c4cnn(Cc5ccccc5)c4)c3n2
Name:7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine
ZINC: ZINC000263620546
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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