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Target
Angiotensin-converting enzyme 2
Ligand
BDBM50613798
Substrate
n/a
Meas. Tech.
ChEMBL_2294204
IC50
1000±n/a nM
Citation
 Williams, DE; Cassel, J; Zhu, JL; Yang, JX; de Voogd, NJ; Matainaho, T; Salvino, JM; Wang, YA; Montaner, LJ; Tietjen, I; Andersen, RJ Thorectidiol A Isolated from the Marine Sponge  J Nat Prod 86:582-588 (2023) [PubMed] 
Target
Name:
Angiotensin-converting enzyme 2
Synonyms:
ACE-related carboxypeptidase | ACE2 | ACE2_HUMAN | ACEH | Angiotensin-converting enzyme homolog | Angiotensin-converting enzyme-related carboxypeptidase | Metalloprotease MPROT15
Type:
Enzyme
Mol. Mass.:
92448.86
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
805
Sequence:
MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF
  
Inhibitor
Name:
BDBM50613798
Synonyms:
CHEMBL5267016
Type:
Small organic molecule
Emp. Form.:
C44H58O6
Mol. Mass.:
682.9277
SMILES:
COc1cc(O)c(c2C=C[C@](C)(CCC3=C(C)CCCC3(C)C)Oc12)-c1c(O)cc(OC)c2O[C@](C)(CCC3=C(C)CCCC3(C)C)C=Cc12 |r,wD:10.10,34.37,c:8,14,41,51,(8.67,2.69,;7.33,1.92,;6,2.69,;6,4.23,;4.67,5,;4.67,6.54,;3.33,4.23,;3.33,2.69,;2.01,1.91,;2.01,.37,;3.35,-.39,;4.69,-1.16,;3.35,-1.93,;2.02,-2.7,;2.02,-4.24,;3.35,-5.01,;4.69,-4.24,;3.35,-6.55,;2.02,-7.32,;.68,-6.55,;.68,-5.01,;-.09,-3.68,;-.86,-5.01,;4.68,.39,;4.67,1.92,;2,5,;2,6.55,;3.33,7.32,;.66,7.31,;-.66,6.55,;-2,7.32,;-3.33,6.55,;-.66,5,;-2,4.24,;-2,2.7,;-3.33,3.47,;-3.33,1.93,;-4.66,2.7,;-6,1.93,;-7.33,2.7,;-7.33,4.24,;-8.67,1.93,;-8.67,.39,;-7.33,-.38,;-6,.39,;-5.23,-.95,;-4.46,.39,;-.67,1.93,;.66,2.7,;.67,4.23,)|
Structure:
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