SEQ2FUN

BioLiP

PDB CCD ID: A1CC2
Number of entries in BioLiP: 3
Chemical formula: C18 H19 F N4
InChI: InChI=1S/C18H19FN4/c19-14-9-7-13(8-10-14)16-17(21-15-5-2-1-3-6-15)23-12-4-11-20-18(23)22-16/h4,7-12,15,21H,1-3,5-6H2
InChIKey: YJKLSCSCDJRJFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cnc2nc(c(n2c1)NC3CCCCC3)c4ccc(cc4)F
CACTVS 3.385Fc1ccc(cc1)c2nc3ncccn3c2NC4CCCCC4
ACDLabs 14.52Fc1ccc(cc1)c1nc2ncccn2c1NC1CCCCC1
Name:(4R)-N-cyclohexyl-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-amine
ChEMBL: CHEMBL5187764
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).