BioLiP

PDB

BioLiP

PDB CCD ID:

A1LU2

Number of entries in BioLiP:

Chemical formula:

C15 H17 N O3

InChI:

InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2

InChIKey:

YJYUDTAJVLORNV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1CCNCc2ccc(c(c2)O)O)O

Name:

Norbelladine

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).