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BioLiP

PDB CCD ID: 34X
Number of entries in BioLiP: 4
Chemical formula: C16 H14 F N5 O
InChI: InChI=1S/C16H14FN5O/c17-12-8-4-5-9-13(12)20-16(23)21-22-10-14(19-15(22)18)11-6-2-1-3-7-11/h1-10H,(H2,18,19)(H2,20,21,23)
InChIKey: FMZIYXRGFBYERG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F
ACDLabs 12.01O=C(Nn1cc(nc1N)c2ccccc2)Nc3ccccc3F
CACTVS 3.385Nc1nc(cn1NC(=O)Nc2ccccc2F)c3ccccc3
Name:1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA
ChEMBL: CHEMBL3989093
ZINC: ZINC000009338279
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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