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BioLiP Library

PDB CCD ID: 8MW
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16)
InChIKey: SQXQFDZJONADBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3
OpenEye OEToolkits 2.0.6Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C
Name:2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
ZINC: ZINC000012505640
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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