BioLiP

PDB

BioLiP

PDB CCD ID:

GHT

Number of entries in BioLiP:

Chemical formula:

C19 H19 N O4

InChI:

InChI=1S/C19H19NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h6-9,21-22H,4-5H2,1-3H3

InChIKey:

XPRXRILREFALSL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34
OpenEye OEToolkits 2.0.6	CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O

Name:

Boldine

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).