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BioLiP

PDB CCD ID: FVV
Number of entries in BioLiP: 1
Chemical formula: C17 H16 F N3
InChI: InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2
InChIKey: LXOFDRFYSDHQTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1
ACDLabs 12.01c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F
OpenEye OEToolkits 2.0.6c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F
Name:10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
ChEMBL: CHEMBL1624889
ZINC: ZINC000004334103
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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