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Target
Angiotensin-converting enzyme 2
Ligand
BDBM85557
Substrate
n/a
Ki
63.2±n/a nM
Comments
PDSP_306
Citation
 Handa, RK; Harding, JW; Simasko, SM Characterization and function of the bovine kidney epithelial angiotensin receptor subtype 4 using angiotensin IV and divalinal angiotensin IV as receptor ligands. J Pharmacol Exp Ther 291:1242-9 (1999) [PubMed] 
Target
Name:
Angiotensin-converting enzyme 2
Synonyms:
ACE2 | ACE2_BOVIN | Angiotensin IV
Type:
Enzyme Catalytic Domain
Mol. Mass.:
93046.63
Organism:
BOVINE
Description:
Angiotensin IV 0 BOVINE::Q58DD0
Residue:
804
Sequence:
MTGSFWLLLSLVAVTAAQSTTEEQAKTFLEKFNHEAEDLSYQSSLASWNYNTNITDENVQKMNEARAKWSAFYEEQSRMAKTYSLEEIQNLTLKRQLKALQHSGTSALSAEKSKRLNTILNKMSTIYSTGKVLDPNTQECLALEPGLDDIMENSRDYNRRLWAWEGWRAEVGKQLRPLYEEYVVLENEMARANNYEDYGDYWRGDYEVTGAGDYDYSRDQLMKDVERTFAEIKPLYEQLHAYVRAKLMHTYPSYISPTGCLPAHLLGDMWGRFWTNLYSLTVPFEHKPSIDVTEKMENQSWDAERIFKEAEKFFVSISLPYMTQGFWDNSMLTEPGDGRKVVCHPTAWDLGKGDFRIKMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPYLLRNGANEGFHEAVGEIMSLSAATPHYLKALGLLAPDFHEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKQQWMEKWWEMKREIVGVVEPLPHDETYCDPACLFHVAEDYSFIRYYTRTIYQFQFHEALCKTAKHEGALFKCDISNSTEAGQRLLQMLRLGKSEPWTLALENIVGIKTMDVKPLLNYFEPLFTWLKEQNRNSFVGWSTEWTPYSDQSIKVRISLKSALGENAYEWNDNEMYLFQSSVAYAMRKYFSEARNETVLFGEDNVWVSDKKPRISFKFFVTSPNNVSDIIPRTEVENAIRLSRDRINDVFQLDDNSLEFLGIQPTLGPPYEPPVTIWLIIFGVVMGVVVIGIVVLIFTGIRNRRKKNQASSEENPYGSVDLNKGENNSGFQNIDDVQTSL
  
Inhibitor
Name:
BDBM85557
Synonyms:
Ang III | CAS_12687-51-3
Type:
Small organic molecule
Emp. Form.:
C46H66N12O9
Mol. Mass.:
931.0912
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:39.39,8.17,24.25,52.55,56.58,wD:4.4,2.2,20.21,(2.14,-3.15,;1.3,-1.86,;-.2,-1.94,;-.91,-3.35,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.26,-7.97,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.73,;-.37,.69,;-1.2,1.95,;1.17,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.44,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.31,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.67,.11,;9.08,.65,;10.29,-.31,;11.74,.25,;12.94,-.72,;12.71,-2.26,;11.27,-2.8,;10.06,-1.84,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)|
Structure:
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