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BioLiP

PDB CCD ID: ZXC
Number of entries in BioLiP: 1
Chemical formula: C10 H7 N5 O S
InChI: InChI=1S/C10H7N5OS/c16-10(6-2-1-3-17-6)15-9-7-8(12-4-11-7)13-5-14-9/h1-5H,(H2,11,12,13,14,15,16)
InChIKey: AARNVVCHOMHOPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2
CACTVS 3.385O=C(Nc1ncnc2[nH]cnc12)c3sccc3
Name:N-(9H-purin-6-yl)thiophene-2-carboxamide
ZINC: ZINC000006093591
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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