SEQ2FUN

BioLiP

PDB CCD ID: A1AM4
Number of entries in BioLiP: 3
Chemical formula: C8 H10 N2 O S
InChI: InChI=1S/C8H10N2OS/c1-11-7-5-3-2-4-6(7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
InChIKey: HXCHZMHFZXNFIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COc1ccccc1NC(N)=S
OpenEye OEToolkits 2.0.7COc1ccccc1NC(=S)N
Name:N-(2-methoxyphenyl)thiourea
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).