BioLiP

PDB

BioLiP

PDB CCD ID:

IQZ

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.6.1	c1ccc2c(c1)c3c([nH]2)C4CCCCN4CC3=O
OpenEye OEToolkits 1.6.1	c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O
CACTVS 3.352	O=C1CN2CCCC[CH]2c3[nH]c4ccccc4c13
CACTVS 3.352	O=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, 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).