BioLiP

PDB

BioLiP

PDB CCD ID:

MPJ

Number of entries in BioLiP:

Chemical formula:

C4 H12 N O2 P S

InChI:

InChI=1S/C4H12NO2PS/c1-9-3-2-4(5)8(6)7/h4,8H,2-3,5H2,1H3,(H,6,7)/t4-/m1/s1

InChIKey:

CZRBNMUARBZMHQ-SCSAIBSYSA-N

SMILES:

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

Name:

(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID;
METHIONINE PHOSPHINATE

DrugBank:

DB04015

ZINC:

ZINC000029326788

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).