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BioLiP Library

PDB CCD ID: 3PS
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N5 O2
InChI: InChI=1S/C16H15N5O2/c1-9-19-14-11(15(17)20-9)4-3-5-12(14)16(22)21-10-6-7-13(23-2)18-8-10/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
InChIKey: IBOOEVQOPIWXHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N
CACTVS 3.370COc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
ACDLabs 12.01O=C(Nc1cnc(OC)cc1)c3c2nc(nc(N)c2ccc3)C
Name:4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
ZINC: ZINC000064447633
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)(download the PDF file).
  • 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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