BioLiP

PDB

BioLiP

PDB CCD ID:

48V

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O3 S

InChI:

InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1

InChIKey:

ZCLNAXHSEATOAW-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(N)C(N)CSCC(=O)O
CACTVS 3.385	N[C@@H](CSCC(O)=O)C(N)=O
OpenEye OEToolkits 1.9.2	C(C(C(=O)N)N)SCC(=O)O
OpenEye OEToolkits 1.9.2	C([C@@H](C(=O)N)N)SCC(=O)O
CACTVS 3.385	N[CH](CSCC(O)=O)C(N)=O

Name:

{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid

ZINC:

ZINC000006360488

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).