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BioLiP

PDB CCD ID: N5V
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N3 O S
InChI: InChI=1S/C6H9N3OS/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKey: QJLXNWDDALWJDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCNC(=O)Nc1nccs1
CACTVS 3.385CCNC(=O)Nc1sccn1
ACDLabs 12.01N(C(NCC)=O)c1nccs1
Name:N-ethyl-N'-1,3-thiazol-2-ylurea
ChEMBL: CHEMBL4074241
ZINC: ZINC000003265765
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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