BioLiP

PDB

BioLiP

PDB CCD ID:

MPH

Number of entries in BioLiP:

Chemical formula:

C4 H12 N O3 P S

InChI:

InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1

InChIKey:

XKCSXHUCPYVQIW-SCSAIBSYSA-N

SMILES:

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

Name:

(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID;
METHIONINE PHOSPHONATE

DrugBank:

DB02151

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).