SEQ2FUN

BioLiP

PDB CCD ID: SB6
Number of entries in BioLiP: 1
Chemical formula: C18 H16 F N3
InChI: InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
InChIKey: ROKOFZNQCIIJMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Fc1ccc(cc1)c2ncn(CC3CC3)c2c4ccncc4
OpenEye OEToolkits 1.5.0c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F
ACDLabs 10.04Fc4ccc(c1ncn(c1c2ccncc2)CC3CC3)cc4
Name:4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE;
SB216995;
PYRIDINYLIMIDAZOLE
ChEMBL: CHEMBL96741
DrugBank: DB08522
ZINC: ZINC000002047872
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).