Reaction Details | |||
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Target | Type-1 angiotensin II receptor A/B | ||
Ligand | BDBM50472359 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_35113 (CHEMBL649315) | ||
Ki | 750±n/a nM | ||
Citation | Johannesson, P; Lindeberg, G; Tong, W; Gogoll, A; Synnergren, B; Nyberg, F; Karlén, A; Hallberg, A Angiotensin II analogues encompassing 5,9- and 5,10-fused thiazabicycloalkane tripeptide mimetics. J Med Chem42:4524-37 (1999) [PubMed] Article | ||
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: |
| ||
BDBM50472359 | |||
n/a | |||
Name | BDBM50472359 | ||
Synonyms: | CHEMBL411733 | ||
Type | Small organic molecule | ||
Emp. Form. | C48H63N13O12S | ||
Mol. Mass. | 1046.159 | ||
SMILES | [H][C@]12CC[C@H](N1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCS2)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:60.65,47.49,27.37,8.9,1.0,wD:4.46,20.26,64.68,38.41,(11.31,-12.86,;10.64,-11.11,;11.95,-11.95,;13.14,-10.97,;12.56,-9.53,;11.02,-9.62,;10.62,-8.13,;11.7,-7.03,;9.52,-7.03,;10.01,-5.56,;11.09,-4.46,;12.6,-4.86,;13.67,-3.76,;13.28,-2.26,;14.35,-1.17,;11.76,-1.87,;10.67,-2.99,;7.79,-7.29,;7.05,-8.63,;5.55,-8.24,;7.05,-10.18,;7.44,-11.65,;8.73,-12.98,;10.23,-12.61,;5.72,-9.41,;4.39,-10.18,;4.39,-11.72,;3.06,-9.41,;3.06,-7.87,;4.39,-7.1,;4.39,-5.56,;5.72,-4.79,;5.72,-3.25,;7.05,-2.48,;4.39,-2.48,;1.71,-10.18,;.38,-9.41,;.38,-7.87,;-.95,-10.18,;-2.29,-9.41,;-.95,-11.72,;-2.29,-12.49,;-3.62,-11.72,;-2.29,-14.03,;13.89,-8.75,;13.88,-7.21,;15.24,-9.5,;16.55,-8.73,;16.54,-7.19,;17.87,-6.4,;19.4,-6.4,;19.89,-4.93,;18.64,-4.02,;17.39,-4.93,;17.9,-9.48,;17.9,-11.02,;19.23,-8.7,;18.74,-7.23,;19.98,-6.33,;21.24,-7.23,;20.77,-8.7,;22.1,-9.47,;22.1,-11.01,;23.43,-8.69,;24.76,-9.46,;24.78,-11,;25.53,-12.33,;27.05,-12.33,;27.82,-13.65,;27.05,-14.98,;25.51,-14.96,;24.76,-13.65,;26.09,-8.68,;27.42,-9.43,;26.09,-7.14,)| | ||
Structure |