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BioLiP

PDB CCD ID: Q24
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N4
InChI: InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
InChIKey: XELRMPRLCPFTBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(nc(n2)N)N
CACTVS 3.370Nc1nc(N)c2ccccc2n1
ACDLabs 12.01n2c1c(cccc1)c(nc2N)N
Name:quinazoline-2,4-diamine
ChEMBL: CHEMBL268354
ZINC: ZINC000000156374
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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