BioLiP

PDB

BioLiP

PDB CCD ID:

RXR

Number of entries in BioLiP:

Chemical formula:

C10 H18 N O S2

InChI:

InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3

InChIKey:

PZEXYXPQVHSRCF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC1(C(=C(C(N1[O])(C)C)CS)CS)C
CACTVS 3.370	CC1(C)N([O])C(C)(C)C(=C1CS)CS
ACDLabs 12.01	ON1C(C(=C(CS)C1(C)C)CS)(C)C

Name:

[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical;
3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical

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).