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BioLiP

PDB CCD ID: 07R
Number of entries in BioLiP: 2
Chemical formula: C16 H14 N4 O2 S
InChI: InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
InChIKey: GDVRVPIXWXOKQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3
CACTVS 3.370Oc1cccc(CNC(=O)Nc2scc(n2)c3ccncc3)c1
Name:1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
ChEMBL: CHEMBL3218011
ZINC: ZINC000072317687
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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