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BioLiP

PDB CCD ID: BTZ
Number of entries in BioLiP: 0
Chemical formula: C12 H16 N6 O S2
InChI: InChI=1S/C12H16N6OS2/c13-12(14)16-4-2-1-3-15-10(19)8-6-21-11(18-8)9-5-20-7-17-9/h5-7H,1-4H2,(H,15,19)(H4,13,14,16)
InChIKey: VSIFMASDYAMOAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]N=C(N)NCCCCNC(=O)c1csc(n1)c2cscn2
CACTVS 3.341NC(=N)NCCCCNC(=O)c1csc(n1)c2cscn2
ACDLabs 10.04O=C(c1nc(sc1)c2ncsc2)NCCCCNC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NCCCCNC(=O)c1csc(n1)c2cscn2
Name:N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
DrugBank: DB07499
ZINC: ZINC000053683062
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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