BioLiP

PDB

BioLiP

PDB CCD ID:

R2P

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3 O3 S

InChI:

InChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1

InChIKey:

SEVVPWOEIHLQGH-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(c1c(nsn1)O)[C@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)Cc1nsnc1O
CACTVS 3.341	N[CH](Cc1nsnc1O)C(O)=O
OpenEye OEToolkits 1.5.0	C(c1c(nsn1)O)C(C(=O)O)N
CACTVS 3.341	N[C@H](Cc1nsnc1O)C(O)=O

Name:

(2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid

ChEMBL:

CHEMBL402444

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).