Reaction Details | |||
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Target | Type-1 angiotensin II receptor A/B | ||
Ligand | BDBM50228271 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_36495 (CHEMBL652312) | ||
IC50 | 15±n/a nM | ||
Citation | Spear, KL; Brown, MS; Reinhard, EJ; McMahon, EG; Olins, GM; Palomo, MA; Patton, DR Conformational restriction of angiotensin II: cyclic analogues having high potency. J Med Chem33:1935-40 (1990) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Type-1 angiotensin II receptor A/B | |||
Name: | Type-1 angiotensin II receptor A/B | ||
Synonyms: | Angiotensin II receptor (AT-1) type-1 | Type-1A/Type-1B angiotensin II receptor | ||
Type: | n/a | ||
Mol. Mass.: | n/a | ||
Description: | ASSAY_ID of ChEMBL is 901964 | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Type-1 angiotensin II receptor B | ||
Synonyms: | AGTRB_RAT | AT3 | Agtr1 | Agtr1b | Angiotensin II AT1B | Angiotensin II receptor (AT-1) type-1 | Angiotensin II type 1b (AT-1b) receptor | At1b | Type-1B angiotensin II receptor | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 40929.44 | ||
Organism: | RAT | ||
Description: | Angiotensin II AT1B 0 RAT::P29089 | ||
Residue: | 359 | ||
Sequence: |
| ||
Component 2 | |||
Name: | Type-1 angiotensin II receptor A | ||
Synonyms: | AGTRA_RAT | ANGIOTENSIN AT1 | Agtr1 | Agtr1a | Angiotensin II AT1 | Angiotensin II AT1A | Angiotensin II receptor (AT-1) type-1 | At1a | Type-1A angiotensin II receptor | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 40910.53 | ||
Organism: | RAT | ||
Description: | ANGIOTENSIN AT1 AGTR1 RAT::P25095 | ||
Residue: | 359 | ||
Sequence: |
| ||
BDBM50228271 | |||
n/a | |||
Name | BDBM50228271 | ||
Synonyms: | CHEMBL268506 | ||
Type | Small organic molecule | ||
Emp. Form. | C48H67N13O12S | ||
Mol. Mass. | 1050.19 | ||
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:63.65,8.8,20.21,2.2,wD:59.62,4.4,46.46,37.38,26.27,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.4,1.39,;-1.34,-.77,;,-1.54,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-1.34,-5.4,;-2.41,-6.02,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-6.41,-14.8,;-5.35,-16.65,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)| | ||
Structure |