SEQ2FUN

BioLiP

PDB CCD ID: A1BM6
Number of entries in BioLiP: 4
Chemical formula: C7 H12 N2 O
InChI: InChI=1S/C7H12N2O/c10-7-8-5-6-3-1-2-4-9(6)7/h6H,1-5H2,(H,8,10)/t6-/m0/s1
InChIKey: QIWVINXQBDDSBJ-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C1CCN2[C@@H](C1)CNC2=O
ACDLabs 14.52O=C1NCC2CCCCN12
OpenEye OEToolkits 3.1.0.0C1CCN2C(C1)CNC2=O
CACTVS 3.385O=C1NC[C@@H]2CCCCN12
CACTVS 3.385O=C1NC[CH]2CCCCN12
Name:(4S,8aS)-hexahydroimidazo[1,5-a]pyridin-3(2H)-one
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).