BioLiP

PDB

BioLiP

PDB CCD ID:

89C

Number of entries in BioLiP:

Chemical formula:

C17 H15 N O4

InChI:

InChI=1S/C17H15NO4/c1-18(11-7-8-16(21-2)14(19)9-11)13-10-17(20)22-15-6-4-3-5-12(13)15/h3-10,19H,1-2H3

InChIKey:

RYPRBMJTFFTZNM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1O)N(C)C2=CC(=O)Oc3ccccc23
OpenEye OEToolkits 2.0.6	CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3

Name:

4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one

ChEMBL:

CHEMBL4444361

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).