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BioLiP

PDB CCD ID: 8TJ
Number of entries in BioLiP: 4
Chemical formula: C9 H8 N2 O S
InChI: InChI=1S/C9H8N2OS/c1-10-8(12)7-5-6-3-2-4-11-9(6)13-7/h2-5H,1H3,(H,10,12)
InChIKey: UKSXMWMDJAZHOM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(=O)c2cc1c(nccc1)s2)C
OpenEye OEToolkits 2.0.6CNC(=O)c1cc2cccnc2s1
CACTVS 3.385CNC(=O)c1sc2ncccc2c1
Name:N-methylthieno[2,3-b]pyridine-2-carboxamide
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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