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BioLiP

PDB CCD ID: EDZ
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N4 O2 S
InChI: InChI=1S/C11H12N4O2S/c16-6-5-8-3-1-2-4-9(8)13-11(17)14-10-7-12-15-18-10/h1-4,7,16H,5-6H2,(H2,13,14,17)
InChIKey: DJQZHXFMOOHESI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(c(c1)CCO)NC(=O)Nc2cnns2
ACDLabs 12.01c1ccc(c(c1)CCO)NC(Nc2cnns2)=O
CACTVS 3.385OCCc1ccccc1NC(=O)Nc2snnc2
Name:1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea
ZINC: ZINC000584905539
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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