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BioLiP

PDB CCD ID: 33M
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N6
InChI: InChI=1S/C18H16N6/c1-24(15-8-4-6-11-5-2-3-7-13(11)15)12-9-14-16(19)22-18(20)23-17(14)21-10-12/h2-10H,1H3,(H4,19,20,21,22,23)
InChIKey: QNASXWBMQABDSW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(c1cnc2nc(N)nc(N)c2c1)c3cccc4ccccc34
OpenEye OEToolkits 1.7.6CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N
ACDLabs 12.01n1cc(cc2c1nc(nc2N)N)N(c4c3ccccc3ccc4)C
Name:N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
ChEMBL: CHEMBL2382334
ZINC: ZINC000096269959
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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