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BioLiP

PDB CCD ID: 2RE
Number of entries in BioLiP: 2
Chemical formula: C20 H14 F N3 O
InChI: InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
InChIKey: QHKYPYXTTXKZST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4
OpenEye OEToolkits 1.7.6c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O
ACDLabs 12.01Fc4ccc(c2nc(c1ccc(O)cc1)nc2c3ccncc3)cc4
Name:4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
ChEMBL: CHEMBL278041
ZINC: ZINC000089221712
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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