melagatran - Ontology Report - Rat Genome Database

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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:	melagatran	go back to main search page
Accession:	CHEBI:43966	browse the term
Definition:	A member of the class of azetidines that is (2S)-azetidine 2-carboxylic acid in which the carboxylic acid has been converted to the amide corresponding to formal condensation with 4-(aminomethyl)benzenecarboximidamide and in which the hydrogen attached to the azetidine nitrogen is replaced by a (2R)-2-cyclohexyl-2-[(carboxymethyl)amino]acetyl group.
Synonyms:	related_synonym:	Formula=C22H31N5O4; InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1; InChIKey=DKWNMCUOEDMMIN-PKOBYXMFSA-N; N-((R)-(((2S)-2-((-p-amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine; N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine; SMILES=[H][C@]1(CCN1C(=O)[C@H](NCC(O)=O)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=N; melagatranum
	alt_id:	CHEBI:73114
	xref:	CAS:159776-70-2; KEGG:D07143
	xref_mesh:	MESH:C109573
	xref:	PDBeChem:MEL; PMID:10102460; PMID:11060733; PMID:12846595; PMID:13680847; PMID:15487959; PMID:16106594; PMID:16123912; PMID:16767816; PMID:22546231; PMID:28338626; PMID:9459334; Reaxys:8090770

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Genes (1)

melagatran

Symbol

Object Name

Qualifiers

Evidence

Notes

Source

PubMed Reference(s)

RGD Reference(s)

Position

coagulation factor II

multiple interactions

ISO

melagatran binds to and results in decreased activity of F2 protein

CTD

PMID:16084352

NCBI chr 3:77,596,196...77,609,486
Ensembl chr 3:77,596,198...77,609,486

ximelagatran