SEQ2FUN

BioLiP

PDB CCD ID: A1CFT
Number of entries in BioLiP: 2
Chemical formula: C10 H10 F N3
InChI: InChI=1S/C10H10FN3/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2,(H,13,14)
InChIKey: AJSVWOCYSPNHEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1[nH]c(cn1)c2ccc(F)cc2
ACDLabs 14.52NCc1ncc([NH]1)c1ccc(F)cc1
OpenEye OEToolkits 3.1.0.0c1cc(ccc1c2cnc([nH]2)CN)F
Name:1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
ChEMBL: CHEMBL4532756
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).