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BioLiP

PDB CCD ID: M1E
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N3 S
InChI: InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)
InChIKey: AZPMALJVBUIZFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1ncnc2ccsc12
OpenEye OEToolkits 2.0.7CNc1c2c(ccs2)ncn1
Name:~{N}-methylthieno[3,2-d]pyrimidin-4-amine
ZINC: ZINC000037375056
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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