BioLiP

PDB

BioLiP

PDB CCD ID:

7O5

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O3 S

InChI:

InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-7-4(8)2-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

InChIKey:

LNQIHWPIWBFOEO-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C([C@@H](C(=O)O)N)NC(=O)CS
CACTVS 3.385	N[CH](CNC(=O)CS)C(O)=O
OpenEye OEToolkits 2.0.6	C(C(C(=O)O)N)NC(=O)CS
CACTVS 3.385	N[C@@H](CNC(=O)CS)C(O)=O

Name:

(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic 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).