Target
Angiotensin-converting enzyme 2
Ligand
BDBM50326045
Substrate
n/a
Meas. Tech.
ChEMBL_655602 (CHEMBL1244646)
Ki
2.8±n/a nM
Citation
 Heinis, CRutherford, TFreund, SWinter, G Phage-encoded combinatorial chemical libraries based on bicyclic peptides. Nat Chem Biol 5:502-7 (2009) [PubMed]  Article 
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:
BDBM50326045
Synonyms:
CHEMBL1240682
Type:
Small organic molecule
Emp. Form.:
C128H168N30O34S2
Mol. Mass.:
2735.014
SMILES:
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(O)=O)NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:106.112,55.62,21.24,147.156,91.94,179.190,4.4,124.131,wD:153.162,175.187,190.203,8.7,43.54,37.41,27.35,15.18,138.147,154.165,160.169,110.115,68.70,79.81,(26.05,-7.23,;26.13,-5.69,;24.83,-4.85,;27.49,-4.99,;27.57,-3.46,;28.94,-2.76,;30.27,-3.54,;30.25,-5.08,;31.52,-2.65,;31.53,-1.11,;33,-.64,;33.89,-1.89,;32.98,-3.13,;33.67,-4.51,;32.88,-5.83,;35.21,-4.52,;35.99,-3.2,;37.53,-3.21,;35.96,-5.86,;37.5,-5.87,;38.28,-4.55,;38.26,-7.21,;37.48,-8.54,;38.23,-9.88,;39.8,-7.22,;40.58,-5.9,;39.82,-4.56,;42.12,-5.92,;42.78,-4.52,;41.91,-3.26,;40.37,-3.21,;39.94,-1.74,;41.21,-.87,;42.43,-1.81,;42.88,-7.25,;44.42,-7.27,;45.19,-5.94,;45.17,-8.61,;46.71,-8.62,;47.5,-7.31,;44.39,-9.93,;45.15,-11.27,;44.37,-12.6,;46.69,-11.28,;47.47,-9.96,;49.01,-9.98,;49.79,-8.65,;51.33,-8.66,;52.09,-10,;53.64,-10.02,;51.3,-11.33,;49.77,-11.31,;47.44,-12.63,;46.66,-13.96,;45.12,-13.94,;47.42,-15.29,;48.96,-15.31,;49.74,-13.98,;51.29,-14,;48.98,-12.64,;46.64,-16.62,;45.1,-16.6,;44.32,-17.93,;44.35,-15.27,;42.81,-15.25,;26.27,-2.62,;26.36,-1.08,;24.9,-3.31,;23.6,-2.48,;23.57,-.95,;22.22,-.2,;22.2,1.35,;20.86,2.11,;20.82,3.65,;22.14,4.44,;19.48,4.41,;22.23,-3.18,;22.15,-4.72,;20.94,-2.34,;19.56,-3.04,;18.27,-2.2,;16.9,-2.9,;15.61,-2.07,;14.23,-2.77,;14.16,-4.3,;12.81,-4.98,;15.45,-5.14,;16.82,-4.45,;19.49,-4.58,;20.78,-5.41,;18.11,-5.27,;18.02,-6.8,;19.74,-7.82,;19.73,-9.36,;21.05,-10.15,;21.03,-11.69,;19.69,-12.44,;19.69,-13.96,;18.36,-11.66,;18.39,-10.12,;16.24,-7.72,;14.96,-6.88,;16.08,-9.25,;17.22,-10.47,;16.41,-11.95,;14.76,-11.64,;14.83,-10.1,;13.48,-9.35,;13.46,-7.8,;12.16,-10.14,;10.81,-9.4,;10.78,-7.87,;9.43,-7.12,;8.19,-8.02,;6.94,-7.12,;7.43,-5.66,;6.65,-4.32,;7.43,-2.99,;8.96,-2.98,;9.73,-4.32,;8.97,-5.66,;9.49,-10.2,;9.52,-11.73,;8.14,-9.44,;6.82,-10.23,;6.85,-11.77,;5.53,-12.56,;4.26,-11.68,;3.04,-12.62,;3.55,-14.07,;2.81,-15.42,;3.61,-16.73,;5.14,-16.7,;5.88,-15.35,;5.08,-14.04,;5.48,-9.48,;5.45,-7.94,;4.15,-10.26,;2.78,-9.54,;2.77,-7.99,;1.41,-7.26,;1.38,-5.71,;.03,-4.97,;.03,-3.4,;1.47,-10.32,;1.49,-11.86,;.13,-9.56,;-1.18,-10.37,;-1.15,-11.9,;-2.49,-12.7,;-2.54,-9.62,;-2.56,-8.08,;-3.85,-10.41,;-5.19,-9.66,;-5.21,-8.12,;-3.91,-7.33,;-6.56,-7.36,;-6.52,-10.46,;-6.49,-12,;-7.86,-9.7,;-9.19,-10.48,;-10.54,-9.74,;-10.56,-8.2,;-9.24,-7.41,;-9.27,-5.88,;-10.64,-5.13,;-10.63,-3.57,;-11.94,-5.92,;-11.91,-7.45,;-9.16,-12.03,;-7.82,-12.77,;-10.34,-13.01,;-11.99,-12.72,;-12.8,-14.2,;-11.64,-15.41,;-10.36,-14.51,;-9.08,-15.37,;-7.74,-14.61,;-9.07,-16.91,;-7.76,-17.71,;-6.42,-16.97,;-5.09,-17.75,;-3.72,-16.98,;-5.1,-19.29,;-7.78,-19.26,;-6.45,-20.05,;-8.97,-20.22,;-10.61,-19.91,;-11.45,-21.38,;-10.29,-22.6,;-9,-21.72,;-7.67,-22.47,;-6.33,-21.64,;-7.62,-24,)|
Structure:
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