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BioLiP

PDB CCD ID: UH4
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O S
InChI: InChI=1S/C11H11N3OS/c1-8-4-5-10(16-8)14-11(15)13-9-3-2-6-12-7-9/h2-7H,1H3,(H2,13,14,15)
InChIKey: OCXJDZBTSLHCNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(s1)NC(=O)Nc2cccnc2
ACDLabs 12.01N(C(Nc1ccc(s1)C)=O)c2cccnc2
CACTVS 3.385Cc1sc(NC(=O)Nc2cccnc2)cc1
Name:N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
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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