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BioLiP

PDB CCD ID: 8HZ
Number of entries in BioLiP: 1
Chemical formula: C21 H19 N3 O
InChI: InChI=1S/C21H19N3O/c1-14-5-9-17(10-6-14)22-21-19(16-7-11-18(25)12-8-16)23-20-15(2)4-3-13-24(20)21/h3-13,22,25H,1-2H3
InChIKey: KPRSGDIGCGTRAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O
CACTVS 3.385Cc1ccc(Nc2n3cccc(C)c3nc2c4ccc(O)cc4)cc1
Name:4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol
ZINC: ZINC000004921843
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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