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BioLiP Library

PDB CCD ID: CWS
Number of entries in BioLiP: 4
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c1-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)
InChIKey: QLGGAJVPIQZKIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2ncnc(N)c2c1
OpenEye OEToolkits 1.9.2Cc1ccc2c(c1)c(ncn2)N
ACDLabs 12.01n2c1c(cc(cc1)C)c(nc2)N
Name:6-METHYLQUINAZOLIN-4-AMINE
ZINC: ZINC000005589376
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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