BioLiP

PDB

BioLiP

PDB CCD ID:

3S5

Number of entries in BioLiP:

Chemical formula:

C3 H9 N3 O3 S

InChI:

InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)

InChIKey:

JKLRIMRKZBSSED-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CS(=O)(=O)O)NC(=N)N
ACDLabs 12.01	O=S(=O)(O)CCNC(=[N@H])N
OpenEye OEToolkits 1.9.2	[H]/N=C(/N)\NCCS(=O)(=O)O
CACTVS 3.385	NC(=N)NCC[S](O)(=O)=O

Name:

Taurocyamine;
2-carbamimidamidoethanesulfonic acid

ChEMBL:

CHEMBL21832

ZINC:

ZINC000004095756

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).