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Target
B2 bradykinin receptor
Ligand
BDBM50045220
Substrate
n/a
Meas. Tech.
ChEBML_40423
Ki
550±n/a nM
Citation
 Salvino, JM; Seoane, PR; Douty, BD; Awad, MM; Dolle, RE; Houck, WT; Faunce, DM; Sawutz, DG Design of potent non-peptide competitive antagonists of the human bradykinin B2 receptor. J Med Chem 36:2583-4 (1993) [PubMed]
Target
Name:
B2 bradykinin receptor
Synonyms:
B2 BRADYKININ | B2 bradykinin receptor | B2R | BDKRB2 | BK-2 receptor | BKR2 | BKRB2_HUMAN | Bradykinin B2 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44467.17
Organism:
Homo sapiens (Human)
Description:
B2 BRADYKININ BDKRB2 HUMAN::P30411
Residue:
391
Sequence:
MFSPWKISMFLSVREDSVPTTASFSADMLNVTLQGPTLNGTFAQSKCPQVEWLGWLNTIQPPFLWVLFVLATLENIFVLSVFCLHKSSCTVAEIYLGNLAAADLILACGLPFWAITISNNFDWLFGETLCRVVNAIISMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWGCTLLLSSPMLVFRTMKEYSDEGHNVTACVISYPSLIWEVFTNMLLNVVGFLLPLSVITFCTMQIMQVLRNNEMQKFKEIQTERRATVLVLVVLLLFIICWLPFQISTFLDTLHRLGILSSCQDERIIDVITQIASFMAYSNSCLNPLVYVIVGKRFRKKSWEVYQGVCQKGGCRSEPIQMENSMGTLRTSISVERQIHKLQDWAGSRQ
  
Inhibitor
Name:
BDBM50045220
Synonyms:
3-[2-(N',N''-Dicyclohexyl-guanidino)-3-naphthalen-2-yl-propionylamino]-1-azonia-bicyclo[2.2.2]octane; dihydrochloride (diastereomer 1) | 3-[2-(N',N''-Dicyclohexyl-guanidino)-3-naphthalen-2-yl-propionylamino]-1-azonia-bicyclo[2.2.2]octane; dihydrochloride (diastereomer 2) | 3-[2-(N',N''-Dicyclohexyl-guanidino)-3-naphthalen-2-yl-propionylamino]-1-azonia-bicyclo[2.2.2]octane; dihydrochloride (diastereomeric mixture) | CHEMBL444322
Type:
Small organic molecule
Emp. Form.:
C33H49N5O
Mol. Mass.:
531.774
SMILES:
O=C(NC1C[NH+]2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)N\C(NC1CCCCC1)=[NH+]\C1CCCCC1 |wD:11.26,(26.63,-13.75,;26.66,-15.29,;28,-16.02,;29.32,-15.26,;29.32,-16.79,;30.57,-17.79,;30.01,-16.46,;31.01,-15.83,;30.63,-14.48,;31.98,-15.26,;31.98,-16.79,;25.28,-15.95,;25.22,-18.04,;23.73,-19.54,;23.73,-21.09,;22.4,-21.85,;21.07,-21.09,;19.74,-21.85,;18.42,-21.09,;18.4,-19.54,;19.74,-18.77,;21.07,-19.55,;22.4,-18.77,;24,-15.06,;22.49,-15.35,;22.05,-16.83,;20.51,-16.81,;19.54,-18.32,;17.59,-17.49,;16.19,-17.88,;17.17,-16.38,;19.02,-17.21,;21.31,-13.91,;19.77,-13.85,;18.27,-14.25,;16.41,-13.4,;15.45,-14.9,;16.85,-14.52,;18.78,-15.35,)|
Structure:
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