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BioLiP

PDB CCD ID: 855
Number of entries in BioLiP: 1
Chemical formula: C19 H15 N5
InChI: InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
InChIKey: JONFDFIXMPXTRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4
CACTVS 3.341Cc1cccc(n1)c2nc(Nc3ccncc3)c4ccccc4n2
ACDLabs 10.04n2c1c(cccc1)c(nc2c3nc(ccc3)C)Nc4ccncc4
Name:2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
ChEMBL: CHEMBL570533
DrugBank: DB07267
ZINC: ZINC000038440844
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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