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BioLiP

PDB CCD ID: MKN
Number of entries in BioLiP: 1
Chemical formula: C11 H8 N2 S2
InChI: InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)
InChIKey: JTXMBJSVNQHHPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(sc1)c2ccc(s2)c3cc[nH]n3
CACTVS 3.385[nH]1ccc(n1)c2sc(cc2)c3sccc3
Name:3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole
ZINC: ZINC000001039495
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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