BioLiP

PDB

BioLiP

PDB CCD ID:

EEL

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O3 S2

InChI:

InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1

InChIKey:

CTDDWEHVCFADKZ-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC(N(C1)C(=O)C(CS)CS)C(=O)O
CACTVS 3.385	OC(=O)[C@H]1CCCN1C(=O)C(CS)CS
OpenEye OEToolkits 2.0.7	C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCCN1C(=O)C(CS)CS

Name:

(2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid

ChEMBL:

CHEMBL4784122

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).