CYQ Ligand Summary Page - RCSB PDB

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247,086Structures from the PDB archive 1,068,577Computed Structure Models (CSM)

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Data API CYQ

2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID

Created:	1999-10-04
Last modified:	2024-09-27

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5 entries where CYQ is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

Toggle HydrogenToggle Labels

Chemical Component Summary
Name	2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID
Synonyms	S-METHYL PHOSPHOCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-(phosphonomethylsulfanyl)propanoic acid
Formula	C4 H10 N O5 P S
Molecular Weight	215.165
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)CSCC(N)C(=O)O
SMILES	CACTVS	3.341	N[CH](CSC[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(=O)O)N)SCP(=O)(O)O
Canonical SMILES	CACTVS	3.341	N[C@@H](CSC[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H](C(=O)O)N)SCP(=O)(O)O
InChI	InChI	1.03	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	InChI	1.03	IIALWEPLPCANHU-VKHMYHEASA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02461
Name	S-Methyl Phosphocysteine
Groups	experimental
Synonyms	S-Methyl Phosphocysteine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Chemotaxis protein CheY	MADKELKFLVVDDFSTMRRIVRNLLKELGFNNVEEAEDGVDALNKLQAGG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	192579
ChEMBL	CHEMBL175970

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