Ki Summary

Reaction Details

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Target

Type-1 angiotensin II receptor A

Ligand

BDBM50514581

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1857650 (CHEMBL4358379)

1700±n/a nM

Citation

Juillerat-Jeanneret, L The Other Angiotensin II Receptor: AT J Med Chem63:1978-1995 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Type-1 angiotensin II receptor A

Name:

Type-1 angiotensin II receptor A

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

40910.53

Organism:

RAT

Description:

ANGIOTENSIN AT1 AGTR1 RAT::P25095

Residue:

359

Sequence:

MALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLK
TVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLT
CLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVC
AFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFR
IIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPL
FYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE

BDBM50514581

n/a

Name

BDBM50514581

Synonyms:

CHEMBL1885579

Type

Small organic molecule

Emp. Form.

C52H69N13O11

Mol. Mass.

1052.1848

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O |wD:15.23,4.4,25.54,55.67,33.42,8.7,2.2,(24.22,-16.21,;22.68,-16.15,;21.86,-17.46,;22.57,-18.82,;20.32,-17.4,;19.5,-18.7,;17.96,-18.64,;17.24,-17.28,;17.14,-19.94,;17.71,-21.37,;16.52,-22.36,;15.22,-21.54,;15.6,-20.04,;14.61,-18.86,;15.15,-17.42,;13.1,-19.12,;12.14,-20.33,;12.72,-21.76,;14.21,-22.14,;14.31,-23.68,;12.88,-24.25,;11.89,-23.07,;12.52,-17.69,;11,-17.47,;10.05,-18.68,;10.43,-16.04,;8.9,-15.82,;8.33,-14.39,;6.81,-14.17,;6.24,-12.74,;4.71,-12.52,;4.14,-11.09,;5.09,-9.88,;2.62,-10.87,;1.66,-12.08,;.14,-11.86,;-.81,-13.07,;-2.34,-12.85,;-3.29,-14.06,;-2.72,-15.49,;-4.81,-13.84,;2.05,-9.44,;.52,-9.22,;-.43,-10.43,;-.05,-7.79,;-1.57,-7.57,;-2.15,-6.14,;-3.67,-5.92,;-4.24,-4.49,;-3.29,-3.28,;-1.76,-3.5,;-1.19,-4.93,;11.38,-14.83,;12.91,-15.05,;13.48,-16.48,;13.86,-13.84,;13.29,-12.41,;11.76,-12.19,;10.81,-13.4,;9.29,-13.18,;8.71,-11.75,;7.19,-11.53,;9.67,-10.54,;11.19,-10.76,;15.38,-14.06,;16.34,-12.85,;15.76,-11.42,;17.86,-13.07,;18.81,-11.86,;20.34,-12.08,;20.91,-13.51,;19.96,-14.72,;18.43,-14.5,;19.6,-16.03,;20.62,-14.82,;18.06,-15.97,)|

Structure