Ki Summary

Reaction Details

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Target

Type-2 angiotensin II receptor

Ligand

BDBM50195698

Substrate

n/a

Meas. Tech.

ChEMBL_414989 (CHEMBL909478)

4.7±n/a nM

Citation

Rosenström, U; Sköld, C; Lindeberg, G; Botros, M; Nyberg, F; Karlén, A; Hallberg, A Design, synthesis, and incorporation of a beta-turn mimetic in angiotensin II forming novel pseudopeptides with affinity for AT1 and AT2 receptors. J Med Chem 49:6133-7 (2006) [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:

BDBM50195698

Synonyms:

(3S)-3-amino-3-{[(1S)-1-{[(2S)-2-[(2S)-butan-2-yl]-4-({[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}methyl)-9-[(4-hydroxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid | CHEMBL265613

Type:

Small organic molecule

Emp. Form.:

C52H67N13O11

Mol. Mass.:

1050.1689

SMILES:

CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)cc2CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |wU:32.33,4.3,2.2,63.66,wD:21.29,46.47,59.63,(14.77,-5.6,;13.95,-6.91,;12.41,-6.86,;11.69,-5.5,;11.6,-8.16,;10.09,-7.83,;8.87,-8.79,;7.53,-8.02,;7.53,-6.48,;6.19,-5.71,;6.2,-4.17,;4.85,-3.41,;3.53,-4.18,;2.19,-3.41,;3.54,-5.73,;4.87,-6.49,;6.21,-8.79,;6.21,-10.32,;4.87,-11.09,;3.54,-10.32,;3.54,-8.78,;2.2,-11.09,;2.2,-12.63,;3.54,-13.4,;3.54,-14.94,;4.87,-15.71,;4.87,-17.25,;6.21,-18.02,;3.54,-18.02,;.87,-10.32,;-.46,-11.09,;-.46,-12.63,;-1.8,-10.32,;-3.13,-11.09,;-1.8,-8.78,;-3.13,-8.01,;-4.46,-8.78,;-3.13,-6.47,;7.54,-11.1,;8.87,-10.33,;10.08,-11.31,;11.6,-10.96,;12.55,-12.16,;14.09,-12.11,;14.92,-13.39,;14.81,-10.72,;16.34,-10.65,;17.53,-11.64,;17.47,-13.18,;18.76,-14.05,;18.26,-15.53,;16.72,-15.53,;16.25,-14.07,;17.09,-9.31,;16.31,-8,;18.62,-9.3,;19.15,-10.73,;20.69,-10.73,;21.12,-9.23,;19.81,-8.37,;19.05,-7.02,;17.51,-7,;19.83,-5.69,;19.11,-4.35,;17.56,-4.3,;16.83,-2.94,;17.63,-1.63,;16.91,-.28,;15.37,-.23,;14.55,-1.54,;15.29,-2.89,;19.9,-3.03,;19.17,-1.68,;21.45,-3.07,;12.27,-9.56,;13.81,-9.56,)|

Structure: