Ki Summary

Reaction Details

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Target

Type-2 angiotensin II receptor

Ligand

BDBM50369331

Substrate

n/a

Meas. Tech.

ChEMBL_35277 (CHEMBL647776)

>10000±n/a nM

Citation

Rosenström, U; Sköld, C; Lindeberg, G; Botros, M; Nyberg, F; Karlén, A; Hallberg, A A selective AT2 receptor ligand with a gamma-turn-like mimetic replacing the amino acid residues 4-5 of angiotensin II. J Med Chem 47:859-70 (2004) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Type-2 angiotensin II receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

41201.61

Organism:

Homo sapiens (Human)

Description:

Angiotensin II, central 0 0::P50052

Residue:

363

Sequence:

MKGNSTLATTSKNITSGLHFGLVNISGNNESTLNCSQKPSDKHLDAIPILYYIIFVIGFLVNIVVVTLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYIVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAWMGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRESMSCRKSSSLREMETFVS

Inhibitor

Name:

BDBM50369331

Synonyms:

CHEMBL1791259

Type:

Small organic molecule

Emp. Form.:

C52H66N12O11

Mol. Mass.:

1035.1542

SMILES:

CC[C@@H](C)[C@H](N1Cc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)ccc2[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:60.65,47.49,33.34,24.24,2.2,wD:4.4,13.20,64.68,(17.94,-9.01,;17.96,-7.5,;16.62,-6.73,;15.26,-7.47,;16.62,-5.23,;15.3,-4.47,;13.9,-5.27,;12.5,-4.49,;11.12,-5.27,;9.72,-4.51,;8.33,-5.29,;6.92,-4.54,;6.9,-2.96,;5.54,-5.34,;5.54,-6.9,;6.95,-7.69,;6.97,-9.26,;8.38,-10.03,;8.39,-11.61,;7,-12.41,;9.8,-12.38,;4.12,-4.56,;2.74,-5.36,;2.75,-6.94,;1.32,-4.59,;-.07,-5.39,;1.3,-3.01,;-.1,-2.24,;-1.5,-3.03,;-.12,-.67,;9.7,-2.93,;11.09,-2.13,;12.48,-2.91,;13.87,-2.11,;13.86,-.6,;12.51,.17,;12.5,1.68,;11.16,2.42,;9.82,1.65,;8.46,2.41,;9.85,.12,;11.18,-.62,;15.28,-2.89,;16.62,-2.12,;17.96,-4.47,;17.96,-2.98,;19.3,-5.23,;20.62,-4.47,;20.62,-2.98,;21.33,-1.86,;22.67,-1.76,;22.99,-.48,;21.83,.21,;20.81,-.64,;21.96,-5.23,;21.96,-6.72,;23.29,-4.45,;22.15,-3.46,;22.77,-2.11,;24.31,-2.24,;24.63,-3.7,;26.05,-4.31,;26.22,-5.8,;27.28,-3.42,;28.69,-4.03,;28.85,-5.51,;29.94,-6.58,;29.54,-8.02,;30.61,-9.08,;32.1,-8.69,;32.5,-7.25,;31.4,-6.18,;29.93,-3.13,;31.35,-3.73,;29.74,-1.65,)|

Structure: