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BioLiP

PDB CCD ID: IXF
Number of entries in BioLiP: 2
Chemical formula: C17 H20 N6
InChI: InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)
InChIKey: CRSDIJKYSOUKQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N
ACDLabs 12.01n1cc(cc2c1nc(nc2N)N)N(c3ccc(cc3)C(C)C)C
CACTVS 3.370CC(C)c1ccc(cc1)N(C)c2cnc3nc(N)nc(N)c3c2
Name:N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
ChEMBL: CHEMBL2382332
ZINC: ZINC000095921004
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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