SEQ2FUN

BioLiP

PDB CCD ID: LQH
Number of entries in BioLiP: 7
Chemical formula: C17 H13 F N2
InChI: InChI=1S/C17H13FN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2
InChIKey: CRASKXTVWBAFRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F
CACTVS 3.385Fc1ccccc1C2=Cc3ccccc3C4=NCCN24
Name:5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
ChEMBL: CHEMBL310238
ZINC: ZINC000013740204
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).