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BioLiP Library

PDB CCD ID: 8MT
Number of entries in BioLiP: 1
Chemical formula: C5 H4 Br2 N2 O S
InChI: InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)
InChIKey: XYZOOBRFZARVRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NNC(=O)c1sc(Br)c(Br)c1
OpenEye OEToolkits 2.0.6c1c(c(sc1C(=O)NN)Br)Br
Name:4,5-bis(bromanyl)thiophene-2-carbohydrazide
ZINC: ZINC000001001353
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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