IOM

(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID

Created:	2002-10-17
Last modified:	2011-06-04

Find Related PDB Entry
3 entries where IOM is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-(diaminomethyl-methyl-amino)ethanoic acid
Formula	C₄ H₁₁ N₃ O₂
Molecular Weight	133.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CN(C)C(N)N
SMILES	CACTVS	3.341	CN(CC(O)=O)C(N)N
SMILES	OpenEye OEToolkits	1.5.0	CN(CC(=O)O)C(N)N
Canonical SMILES	CACTVS	3.341	CN(CC(O)=O)C(N)N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(CC(=O)O)C(N)N
InChI	InChI	1.03	InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)
InChIKey	InChI	1.03	YNHURFGTTODJOO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02490
Name	(Diaminomethyl-Methyl-Amino)-Acetic Acid
Groups	experimental
Synonyms	(Diaminomethyl-Methyl-Amino)-Acetic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Creatine kinase M-type	MPFGNTHNKFKLNYKPEEEYPDLSKHNNHMAKVLTLELYKKLRDKETPSG...	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