BioLiP

PDB

BioLiP

PDB CCD ID:

G3Q

Number of entries in BioLiP:

Chemical formula:

C20 H33 N3 O3

InChI:

InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1

InChIKey:

MXFWWQICDIZSOA-QGZVFWFLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
OpenEye OEToolkits 2.0.6	CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O
CACTVS 3.385	CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
OpenEye OEToolkits 2.0.6	CC(C)(C)NCC(COc1ccc(cc1)NC(=O)NC2CCCCC2)O

Name:

R-Talinolol;
Talinolol

ZINC:

ZINC000001846283

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).