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BioLiP

PDB CCD ID: 0TZ
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N9
InChI: InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21)
InChIKey: OEQWYIZFUDGMEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4
OpenEye OEToolkits 1.7.6Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4
ACDLabs 12.01n2c1ccccn1c(c2Nc3ccnn3)c4nc(nc(n4)N)C
Name:3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
ChEMBL: CHEMBL2172637
ZINC: ZINC000095553846
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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