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BioLiP

PDB CCD ID: 46P
Number of entries in BioLiP: 5
Chemical formula: C8 H10 N4 S
InChI: InChI=1S/C8H10N4S/c1-5-6(13-8(9)11-5)7-10-3-4-12(7)2/h3-4H,1-2H3,(H2,9,11)
InChIKey: MHYCRLDCEBMUQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccnc1c2sc(N)nc2C
OpenEye OEToolkits 1.9.2Cc1c(sc(n1)N)c2nccn2C
ACDLabs 12.01n1c(c(sc1N)c2nccn2C)C
Name:4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
ZINC: ZINC000008708128
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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