BioLiP

PDB

BioLiP

PDB CCD ID:

XHO

Number of entries in BioLiP:

Chemical formula:

C24 H33 N3 O4

InChI:

InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/t20-/m1/s1

InChIKey:

XKLMZUWKNUAPSZ-HXUWFJFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)O)C
OpenEye OEToolkits 2.0.7	Cc1cccc(c1NC(=O)CN2CCN(CC2)C[C@H](COc3ccccc3OC)O)C
CACTVS 3.385	COc1ccccc1OC[C@H](O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C
CACTVS 3.385	COc1ccccc1OC[CH](O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C
ACDLabs 12.01	OC(CN1CCN(CC1)CC(=O)Nc1c(C)cccc1C)COc1ccccc1OC

Name:

(R)-ranolazine;
N-(2,6-dimethylphenyl)-2-{4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide

ChEMBL:

CHEMBL1357016

ZINC:

ZINC000095619101

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).