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TargetAngiotensin-converting enzyme
LigandBDBM21489
Substrate/Competitorn/a
Meas. Tech.ChEMBL_462458
IC50 0.44±n/a nM
Citation Deaton DNGraham KPGross JWMiller AB Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett 18:1681-7 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Angiotensin-converting enzyme
Name:Angiotensin-converting enzyme
Synonyms:ACE-related carboxypeptidase | ACE2 | ACEH | Angiotensin-Converting Enzyme 2 | Angiotensin-converting enzyme homolog
Type:Enzyme
Mol. Mass.:92448.86
Organism:Homo sapiens (human)
Description:n/a
Residue:805
Sequence:
MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQ
NMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTIL
NTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLY
EEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHL
HAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQ
AWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILM
CTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKS
IGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEM
KREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLH
KCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNK
NSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKN
QMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDN
SLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENP
YASIDISKGENNPGFQNTDDVQTSF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM21489
NameBDBM21489
Synonyms:(2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)methyl]-1H-imidazol-5-yl}ethyl]amino}-4-methylpentanoic acid | 2-(1-carboxy-2-(3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl)ethylamino)-4-methylpentanoic acid | CHEMBL429844 | MLN 4760 | MLN-4760 | MLN4760
TypeSmall organic molecule
Emp. Form.C19H23Cl2N3O4
Mol. Mass.428.31
SMILESCC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a