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BioLiP

PDB CCD ID: A2W
Number of entries in BioLiP: 1
Chemical formula: C19 H15 F N4
InChI: InChI=1S/C19H15FN4/c20-17-8-6-15(7-9-17)19-16(12-23-11-10-21-14-23)13-24(22-19)18-4-2-1-3-5-18/h1-11,13-14H,12H2
InChIKey: KWPMFVYWNXVKNC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4
CACTVS 3.385Fc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4
Name:3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole
ChEMBL: CHEMBL4087790
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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