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BioLiP

PDB CCD ID: 5J4
Number of entries in BioLiP: 1
Chemical formula: C14 H9 N3 O S2
InChI: InChI=1S/C14H9N3OS2/c18-12-7-19-13(17-12)14-16-10-5-4-9(6-11(10)20-14)15-8-2-1-3-8/h1-7,15,18H
InChIKey: AMUPGDQXMKYKJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O
CACTVS 3.385Oc1csc(n1)c2sc3cc(NC4=CC=C4)ccc3n2
ACDLabs 12.01c1(ccc3c(c1)sc(c2scc(n2)O)n3)NC4=CC=C4
Name:2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol
ZINC: ZINC000584904764
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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