HIC

4-METHYL-HISTIDINE

Created:	1999-07-08
Last modified:	2024-09-27

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2 entries where HIC is found as a standalone ligand390 entries where HIC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	5

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Chemical Component Summary
Name	4-METHYL-HISTIDINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
Formula	C₇ H₁₁ N₃ O₂
Molecular Weight	169.181
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1ncn(c1)C
SMILES	CACTVS	3.341	Cn1cnc(C[CH](N)C(O)=O)c1
SMILES	OpenEye OEToolkits	1.5.0	Cn1cc(nc1)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	Cn1cnc(C[C@H](N)C(O)=O)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cn1cc(nc1)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey	InChI	1.03	BRMWTNUJHUMWMS-LURJTMIESA-N

Drug Info: DrugBank

DrugBank ID	DB04151
Name	1-Methylhistidine
Groups	experimental
Synonyms	Pi-methylhistidine 1-Methylhistidine 1-methyl-L-histidine N(tele)-methyl-L-histidine (2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
Categories	Amino Acids Amino Acids, Cyclic Amino Acids, Peptides, and Proteins
CAS number	332-80-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Actin, alpha skeletal muscle	MCDEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMG...	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