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BioLiP

PDB CCD ID: U7D
Number of entries in BioLiP: 0
Chemical formula: C14 H12 F3 N3 S
InChI: InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKey: FSUJUFLZGYFLEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccnc(c1)NC(=S)Nc2cccc(c2)C(F)(F)F
CACTVS 3.385Cc1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1
Name:1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea;
CHEMBL2134995
ChEMBL: CHEMBL2134995
ZINC: ZINC000000383396
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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