BioLiP

PDB

BioLiP

PDB CCD ID:

SIC

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O4 S

InChI:

InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1

InChIKey:

SZTCYLPUUUGCPP-IMJSIDKUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N
OpenEye OEToolkits 1.5.0	C1C(C(=O)N(C1=O)C(CS)C(=O)O)N
ACDLabs 10.04	O=C1N(C(=O)CC1N)C(C(=O)O)CS
CACTVS 3.341	N[CH]1CC(=O)N([CH](CS)C(O)=O)C1=O
CACTVS 3.341	N[C@H]1CC(=O)N([C@@H](CS)C(O)=O)C1=O

Name:

(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid

ZINC:

ZINC000058649622

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).