BioLiP

PDB

BioLiP

PDB CCD ID:

BUC

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2 S2

InChI:

InChI=1S/C7H15NO2S2/c1-2-3-4-11-12-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1

InChIKey:

XWJGTZVISFJZPH-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCSSC[C@@H](C(=O)O)N
CACTVS 3.341	CCCCSSC[CH](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CSSCCCC
OpenEye OEToolkits 1.5.0	CCCCSSCC(C(=O)O)N
CACTVS 3.341	CCCCSSC[C@H](N)C(O)=O

Name:

S,S-BUTYLTHIOCYSTEINE

ZINC:

ZINC000033615702

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).