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BioLiP

PDB CCD ID: K0G
Number of entries in BioLiP: 22
Chemical formula: C12 H11 N3 O
InChI: InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
InChIKey: WBKYYDBHEGTTON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1ccccc1)Nc2cccnc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)Nc2cccnc2
ACDLabs 12.01N(c1cccnc1)C(Nc2ccccc2)=O
Name:N-phenyl-N'-pyridin-3-ylurea
ChEMBL: CHEMBL1412642
ZINC: ZINC000000037406
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)(download the PDF file).
  • 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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