BioLiP

PDB

BioLiP

PDB CCD ID:

RCY

Number of entries in BioLiP:

Chemical formula:

C12 H19 N2 O3

InChI:

InChI=1S/C12H20N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h8,17H,5-7H2,1-4H3/t8-/m1/s1

InChIKey:

BGLGHMPQDJUKJG-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1(CC(C(N1[O])(C)C)N2C(=O)CCC2=O)C
CACTVS 3.370	CC1(C)C[C@@H](N2C(=O)CCC2=O)C(C)(C)N1[O]
ACDLabs 12.01	ON2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C
CACTVS 3.370	CC1(C)C[CH](N2C(=O)CCC2=O)C(C)(C)N1[O]
OpenEye OEToolkits 1.7.6	CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C

Name:

(3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione;
3-Maleimido-PROXYL (bound form)

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).