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BioLiP

PDB CCD ID: IQZ
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N2 O
InChI: InChI=1S/C15H16N2O/c18-13-9-17-8-4-3-7-12(17)15-14(13)10-5-1-2-6-11(10)16-15/h1-2,5-6,12,16H,3-4,7-9H2/t12-/m0/s1
InChIKey: PGKUSHWBQJPFOP-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc2c(c1)c3c([nH]2)C4CCCCN4CC3=O
OpenEye OEToolkits 1.6.1c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O
CACTVS 3.352O=C1CN2CCCC[CH]2c3[nH]c4ccccc4c13
CACTVS 3.352O=C1CN2CCCC[C@H]2c3[nH]c4ccccc4c13
Name:(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one
DrugBank: DB02191
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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