SEQ2FUN

BioLiP

PDB CCD ID: VZM
Number of entries in BioLiP: 4
Chemical formula: C11 H11 N3 O2 S
InChI: InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)
InChIKey: QQTNSKDCQAMODS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(NC(=O)Nc2sccc2)cn1
ACDLabs 12.01N(c1cccs1)C(=O)Nc2cnc(cc2)OC
OpenEye OEToolkits 2.0.7COc1ccc(cn1)NC(=O)Nc2cccs2
Name:N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
ChEMBL: CHEMBL1580797
ZINC: ZINC000000157953
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).