BioLiP

PDB

BioLiP

PDB CCD ID:

5RM

Number of entries in BioLiP:

Chemical formula:

C14 H19 N O4

InChI:

InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1

InChIKey:

PCCPERGCFKIYIS-AWEZNQCLSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CCCOc1cc(ccc1OC)[C@]2(C)CNC(=O)O2
OpenEye OEToolkits 1.6.1	CCCOc1cc(ccc1OC)C2(CNC(=O)O2)C
OpenEye OEToolkits 1.6.1	CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C
CACTVS 3.352	CCCOc1cc(ccc1OC)[C]2(C)CNC(=O)O2

Name:

(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one;
(R)-MESOPRAM

ChEMBL:

CHEMBL603830

DrugBank:

DB01647

ZINC:

ZINC000003791675

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).