SEQ2FUN

BioLiP

PDB CCD ID: 5Q5
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 S
InChI: InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey: ACLZYRNSDLQOIA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccccc1NC(N)=S
OpenEye OEToolkits 2.0.4Cc1ccccc1NC(=S)N
Name:1-(2-methylphenyl)thiourea
ChEMBL: CHEMBL1088658
ZINC: ZINC000003127430
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).