BioLiP

PDB

BioLiP

PDB CCD ID:

CYQ

Number of entries in BioLiP:

Chemical formula:

C4 H10 N O5 P S

InChI:

InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

InChIKey:

IIALWEPLPCANHU-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)SCP(=O)(O)O
ACDLabs 10.04	O=P(O)(O)CSCC(N)C(=O)O
CACTVS 3.341	N[CH](CSC[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)N)SCP(=O)(O)O
CACTVS 3.341	N[C@@H](CSC[P](O)(O)=O)C(O)=O

Name:

2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID;
S-METHYL PHOSPHOCYSTEINE

ChEMBL:

CHEMBL175970

DrugBank:

DB02461

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).