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BioLiP

PDB CCD ID: FDR
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N2 O S
InChI: InChI=1S/C10H10N2OS/c1-5-11-9(13)8-6-3-2-4-7(6)14-10(8)12-5/h2-4H2,1H3,(H,11,12,13)
InChIKey: SSAMSKJKRMKXFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC1=Nc2c(c3c(s2)CCC3)C(=O)N1
CACTVS 3.370CC1=Nc2sc3CCCc3c2C(=O)N1
ACDLabs 12.01O=C1c2c3c(sc2N=C(N1)C)CCC3
Name:2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
ChEMBL: CHEMBL1300272
ZINC: ZINC000018213251
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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