BioLiP

PDB

BioLiP

PDB CCD ID:

93X

Number of entries in BioLiP:

Chemical formula:

C20 H23 N O7

InChI:

InChI=1S/C20H23NO7/c1-25-15-6-5-11(7-14(15)23)18-13(10-22)20(24)21(18)12-8-16(26-2)19(28-4)17(9-12)27-3/h5-9,13,18,22-23H,10H2,1-4H3/t13-,18-/m0/s1

InChIKey:

JJGIUCCUMYQUIO-UGSOOPFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1O)[CH]2[CH](CO)C(=O)N2c3cc(OC)c(OC)c(OC)c3
OpenEye OEToolkits 2.0.6	COc1ccc(cc1O)C2C(C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO
CACTVS 3.385	COc1ccc(cc1O)[C@H]2[C@H](CO)C(=O)N2c3cc(OC)c(OC)c(OC)c3
OpenEye OEToolkits 2.0.6	COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO

Name:

(3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

ChEMBL:

CHEMBL4293724

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).