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

BDBM50228202

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_36478 (CHEMBL651547)

9310±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

BDBM50228202

n/a

Name

BDBM50228202

Synonyms:

CHEMBL368638

Type

Small organic molecule

Emp. Form.

C39H61N13O8

Mol. Mass.

839.9839

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(N)=O |wU:36.36,17.16,56.59,wD:43.43,24.23,6.5,(1.06,-8.48,;1.83,-7.17,;3.16,-6.41,;4.5,-7.17,;4.5,-8.7,;5.8,-6.41,;7.14,-7.17,;7.14,-8.7,;8.45,-9.47,;8.45,-10.99,;9.78,-11.78,;9.78,-13.31,;11.12,-14.07,;8.45,-14.07,;8.45,-6.41,;8.45,-4.88,;9.78,-7.17,;11.12,-6.41,;11.12,-4.88,;12.46,-4.11,;9.78,-4.11,;12.46,-7.17,;12.46,-8.7,;13.76,-6.41,;15.1,-7.17,;15.1,-8.7,;16.44,-9.47,;17.74,-8.7,;19.08,-9.47,;19.08,-10.99,;20.42,-11.78,;17.74,-11.78,;16.44,-10.99,;16.44,-6.41,;16.44,-4.88,;17.74,-7.17,;19.08,-6.41,;19.08,-4.88,;20.42,-4.11,;17.74,-4.11,;20.42,-7.17,;20.42,-8.7,;21.72,-6.41,;23.06,-7.17,;23.06,-8.7,;23.63,-10.17,;23.19,-11.76,;24.62,-12.62,;25.89,-11.52,;25.18,-10.17,;24.4,-6.41,;24.4,-4.88,;25.7,-7.17,;25.86,-8.7,;27.36,-9.02,;28.15,-7.68,;27.1,-6.54,;27.42,-5.04,;26.31,-4.02,;28.89,-4.58,)|

Structure