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BioLiP

PDB CCD ID: P4T
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N2 O S
InChI: InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)
InChIKey: UIIUOFPGDKBCEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)c1sc(Nc2ccccc2)nc1C
ACDLabs 10.04O=C(c1sc(nc1C)Nc2ccccc2)C
OpenEye OEToolkits 1.5.0Cc1c(sc(n1)Nc2ccccc2)C(=O)C
Name:2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE;
1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone
ChEMBL: CHEMBL1235108
DrugBank: DB08359
ZINC: ZINC000000153609
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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