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BioLiP

PDB CCD ID: LV1
Number of entries in BioLiP: 1
Chemical formula: C13 H11 F N2 O2
InChI: InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18)
InChIKey: BASVXNNPMBRKEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F
CACTVS 3.385Oc1cccc(NC(=O)Nc2ccc(F)cc2)c1
Name:1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
ZINC: ZINC000000399805
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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