SEQ2FUN

BioLiP

PDB CCD ID: URS
Number of entries in BioLiP: 11
Chemical formula: C7 H8 N2 S
InChI: InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey: FULZLIGZKMKICU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=S)Nc1ccccc1
ACDLabs 10.04S=C(Nc1ccccc1)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=S)N
Name:N-PHENYLTHIOUREA
ChEMBL: CHEMBL263376
DrugBank: DB03694
ZINC: ZINC000003875720
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).