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BioLiP

PDB CCD ID: JQU
Number of entries in BioLiP: 4
Chemical formula: C18 H14 N4 O S
InChI: InChI=1S/C18H14N4OS/c1-12-14-11-16(20-17(23)13-7-3-2-4-8-13)24-18(14)22(21-12)15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23)
InChIKey: SDTFXLSMMOZWHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nn(c2sc(NC(=O)c3ccccc3)cc12)c4ccccn4
OpenEye OEToolkits 2.0.7Cc1c2cc(sc2n(n1)c3ccccn3)NC(=O)c4ccccc4
ACDLabs 12.01O=C(Nc1cc2c(C)nn(c3ccccn3)c2s1)c1ccccc1
Name:N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide
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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