BioLiP

PDB

BioLiP

PDB CCD ID:

A1ECI

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O5 S

InChI:

InChI=1S/C8H13NO5S/c9-5(8(13)14)4-15-7(12)3-1-2-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1

InChIKey:

GIMOFUICDNWWPJ-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(=O)O)CC(=O)SCC(C(=O)O)N
CACTVS 3.385	N[C@@H](CSC(=O)CCCC(O)=O)C(O)=O
CACTVS 3.385	N[CH](CSC(=O)CCCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(CC(=O)O)CC(=O)SC[C@@H](C(=O)O)N

Name:

5-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-5-oxidanylidene-pentanoic acid

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).