Ki Summary

Reaction Details

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Target

Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor

Ligand

BDBM50228198

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_36479 (CHEMBL651548)

1.5±n/a nM

Citation

Hsieh, KH; LaHann, TR; Speth, RC Topographic probes of angiotensin and receptor: potent angiotensin II agonist containing diphenylalanine and long-acting antagonists containing biphenylalanine and 2-indan amino acid in position 8. J Med Chem32:898-903 (1989) [PubMed]

More Info.:

Get all data from this article, Assay Method

Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor

Name:

Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor

Synonyms:

Angiotensin II receptor | Type-1A/Type-1B/Type-2 angiotensin II receptor

Type:

n/a

Mol. Mass.:

n/a

Description:

ASSAY_ID of ChEMBL is 36477

Components:

This complex has 3 components.

Component 1

Name:

Type-1 angiotensin II receptor B

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

40929.44

Organism:

RAT

Description:

Angiotensin II AT1B 0 RAT::P29089

Residue:

359

Sequence:

MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLK
TVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLT
CLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVC
AFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFR
IIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPL
FYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE

Component 2

Name:

Type-2 angiotensin II receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

41346.62

Organism:

RAT

Description:

Angiotensin II AT2 0 0::P35351

Residue:

363

Sequence:

MKDNFSFAATSRNITSSLPFDNLNATGTNESAFNCSHKPADKHLEAIPVLYYMIFVIGFA
VNIVVVSLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVF
GSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYVVPLVWCMACLSSLPTFY
FRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLK
TNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALTWMGIINSCEVIAVIDLAL
PFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRETMSCRKSSSLREMDT
FVS

Component 3

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

BDBM50228198

n/a

Name

BDBM50228198

Synonyms:

CHEMBL414796

Type

Small organic molecule

Emp. Form.

C49H69N13O10

Mol. Mass.

1000.1533

SMILES

CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NC1(Cc2ccccc2C1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.88,;2.9,-14.34,;4.23,-13.57,;5.56,-14.34,;5.56,-15.88,;6.91,-13.57,;8.24,-14.34,;8.24,-15.88,;9.57,-16.66,;9.57,-18.2,;10.92,-18.97,;10.92,-20.51,;12.25,-21.28,;9.57,-21.28,;9.57,-13.57,;9.57,-12.03,;10.92,-14.34,;12.25,-13.57,;12.25,-12.03,;13.58,-11.24,;10.92,-11.24,;13.58,-14.34,;13.58,-15.88,;14.93,-13.57,;16.26,-14.34,;16.26,-15.88,;17.59,-16.66,;17.59,-18.2,;18.94,-18.97,;20.27,-18.2,;21.6,-18.97,;20.27,-16.66,;18.94,-15.88,;17.59,-13.57,;17.59,-12.03,;18.94,-14.34,;20.27,-13.57,;20.27,-12.03,;21.6,-11.24,;18.94,-11.24,;21.6,-14.34,;21.6,-15.88,;22.95,-13.57,;24.28,-14.34,;24.28,-15.88,;24.84,-17.37,;25,-18.9,;26.51,-19.22,;27.3,-17.88,;26.25,-16.72,;25.61,-13.57,;25.61,-12.03,;26.96,-14.34,;27.12,-15.88,;28.63,-16.2,;29.4,-14.86,;28.37,-13.71,;28.69,-12.2,;30.16,-11.72,;27.54,-11.17,;27.88,-9.67,;28.79,-8.42,;30.25,-8.9,;31.58,-8.13,;32.89,-8.9,;32.89,-10.44,;31.57,-11.21,;30.23,-10.44,;28.78,-10.92,;26.72,-8.63,;27.04,-7.12,;25.26,-9.11,)|

Structure