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BioLiP

PDB CCD ID: WZF
Number of entries in BioLiP: 2
Chemical formula: C16 H15 N3 O
InChI: InChI=1S/C16H15N3O/c17-16-18-11-13-6-7-14(10-15(13)19-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,17,18,19)
InChIKey: OERLCDQFGMSRQW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncc2ccc(OCCc3ccccc3)cc2n1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCOc2ccc3cnc(nc3c2)N
Name:7-(2-phenylethoxy)quinazolin-2-amine
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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