SEQ2FUN

BioLiP

PDB CCD ID: R7B
Number of entries in BioLiP: 2
Chemical formula: C12 H15 N3 O
InChI: InChI=1S/C12H15N3O/c16-12-14-8-10(9-4-2-1-3-5-9)11-13-6-7-15(11)12/h6-9H,1-5H2,(H,14,16)
InChIKey: IRDDESQGXYVSBF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cn2c(n1)C(=CNC2=O)C3CCCCC3
CACTVS 3.385O=C1NC=C(C2CCCCC2)c3nccn13
Name:8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one
ChEMBL: CHEMBL4762791
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).