BioLiP

PDB

BioLiP

PDB CCD ID:

LE3

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O S2

InChI:

InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1

InChIKey:

ZWRKPZDQBQKJAE-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CS(=O)CCCCNC=S
CACTVS 3.370 OpenEye OEToolkits 1.7.2	C[S@@](=O)CCCCNC=S
ACDLabs 12.01	O=S(CCCCNC=S)C
CACTVS 3.370	C[S](=O)CCCCNC=S

Name:

N-{4-[(R)-methylsulfinyl]butyl}thioformamide;
L-Sulforaphane, 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).