Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50471553
Substrate
n/a
Meas. Tech.
ChEMBL_34974 (CHEMBL649503)
IC50
2.0±n/a nM
Citation
 Schmidt, B; Lindman, S; Tong, W; Lindeberg, G; Gogoll, A; Lai, Z; Thörnwall, M; Synnergren, B; Nilsson, A; Welch, CJ; Sohtell, M; Westerlund, C; Nyberg, F; Karlén, A; Hallberg, A Design, synthesis, and biological activities of four angiotensin II receptor ligands with gamma-turn mimetics replacing amino acid residues 3-5. J Med Chem 40:903-19 (1997) [PubMed]  Article 
Target
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:
MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
  
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:
MALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
  
Inhibitor
Name:
BDBM50471553
Synonyms:
CHEMBL1791261
Type:
Small organic molecule
Emp. Form.:
C50H68N12O11
Mol. Mass.:
1013.1487
SMILES:
[H][C@]1(Cc2ccc(O)cc2)C=C(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)CCN([C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |wU:57.60,44.44,16.24,37.38,1.0,wD:36.41,61.63,27.28,t:11,(10.62,-2.15,;12.09,-2.57,;12.09,-1.03,;13.42,-.23,;14.75,-1,;16.08,-.23,;16.08,1.32,;17.41,2.1,;14.72,2.08,;13.39,1.3,;10.97,-3.6,;11.08,-5.14,;9.75,-5.91,;8.42,-5.14,;7.09,-5.91,;7.09,-7.44,;5.74,-5.14,;5.74,-3.6,;7.09,-2.83,;7.09,-1.29,;8.42,-.52,;8.42,1.02,;9.75,1.79,;7.09,1.79,;4.41,-5.91,;3.08,-5.14,;3.08,-3.6,;1.75,-5.91,;.42,-5.14,;1.75,-7.44,;.42,-8.22,;.42,-9.76,;-.93,-7.44,;12.37,-6,;13.84,-5.55,;14.4,-4.11,;15.73,-4.88,;15.73,-6.42,;14.4,-7.19,;17.06,-7.19,;17.06,-8.73,;17.06,-4.11,;17.06,-2.57,;18.41,-4.88,;19.74,-4.11,;19.74,-2.57,;20.49,-1.24,;22.03,-1.05,;22.33,.47,;20.98,1.21,;19.86,.18,;21.07,-4.88,;21.07,-6.42,;22.4,-4.11,;21.93,-2.64,;23.17,-1.75,;24.43,-2.64,;23.94,-4.11,;24.85,-5.37,;24.22,-6.77,;26.37,-5.2,;27.28,-6.45,;26.65,-7.86,;27.56,-9.1,;26.93,-10.5,;27.81,-11.74,;29.35,-11.6,;29.98,-10.2,;29.07,-8.94,;28.82,-6.28,;29.7,-7.54,;29.45,-4.88,;13.63,-2.78,;14.96,-2.01,)|
Structure:
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