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BioLiP

PDB CCD ID: WEI
Number of entries in BioLiP: 1
Chemical formula: C6 H6 N4 S
InChI: InChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10)
InChIKey: WWNLEICCMKSWQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1csc2c1c(nc(n2)N)N
CACTVS 3.385Nc1nc(N)c2ccsc2n1
ACDLabs 12.01Nc1nc(N)nc2sccc12
Name:thieno[2,3-d]pyrimidine-2,4-diamine
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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