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BioLiP

PDB CCD ID: 1X8
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N4 O2 S
InChI: InChI=1S/C9H8N4O2S/c10-7-3-1-5(9(12)15)16-6(3)4(2-13-7)8(11)14/h1-2H,(H2,10,13)(H2,11,14)(H2,12,15)
InChIKey: VOGMWPBBHVVUAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N
ACDLabs 12.01O=C(c2c1sc(cc1c(nc2)N)C(=O)N)N
CACTVS 3.385NC(=O)c1sc2c(cnc(N)c2c1)C(N)=O
Name:4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
ChEMBL: CHEMBL3098810
ZINC: ZINC000095921346
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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