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BioLiP

PDB CCD ID: PTZ
Number of entries in BioLiP: 7
Chemical formula: C10 H10 N2 S
InChI: InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)
InChIKey: HTXQOROHFFYFMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c(c1ccccc1)c(sc2N)C
CACTVS 3.370Cc1sc(N)nc1c2ccccc2
OpenEye OEToolkits 1.7.0Cc1c(nc(s1)N)c2ccccc2
Name:5-methyl-4-phenyl-1,3-thiazol-2-amine;
2-Amino-5-methyl-4-phenylthiazole
ChEMBL: CHEMBL172066
ZINC: ZINC000095082477
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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