BioLiP

PDB

BioLiP

PDB CCD ID:

D7L

Number of entries in BioLiP:

Chemical formula:

C17 H13 N O4

InChI:

InChI=1S/C17H13NO4/c1-18-12-8-9-7-10(19)3-5-13(9)22-16-14(21-2)6-4-11(15(12)16)17(18)20/h3-8,19H,1-2H3

InChIKey:

UBXAIPVYSJZJCU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O
CACTVS 3.385	COc1ccc2C(=O)N(C)C3=Cc4cc(O)ccc4Oc1c23

Name:

6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-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).