BioLiP

PDB

BioLiP

PDB CCD ID:

ESC

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2 S

InChI:

InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey:

GGLZPLKKBSSKCX-YFKPBYRVSA-N

SMILES:

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

Name:

2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID

ChEMBL:

CHEMBL203187

ZINC:

ZINC000001532201

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).