Reaction Details  Report a problem with these data
Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50471552
Substrate
n/a
Meas. Tech.
ChEMBL_34974 (CHEMBL649503)
IC50
>100000±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:
BDBM50471552
Synonyms:
CHEMBL1791262
Type:
Small organic molecule
Emp. Form.:
C52H66N12O11
Mol. Mass.:
1035.1542
SMILES:
[H][C@@]1(Cc2ccc(O)cc2)C(=O)N(Cc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)ccc12)[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:61.66,48.50,20.28,41.44,1.0,wD:40.47,65.69,31.32,(12.21,-.94,;13.7,-1.36,;13.7,.18,;15.1,.83,;16.34,-.05,;17.74,.58,;17.9,2.12,;19.3,2.75,;16.62,3,;15.24,2.35,;15.06,-2.11,;16.39,-1.34,;15.06,-3.65,;13.73,-4.42,;12.4,-3.67,;11.09,-4.44,;9.74,-3.67,;8.38,-4.49,;7.05,-5.26,;7.05,-6.77,;5.7,-4.49,;5.7,-2.95,;7.05,-2.18,;7.05,-.64,;8.38,.13,;8.38,1.67,;9.71,2.44,;7.05,2.44,;4.37,-5.26,;3.04,-4.49,;3.04,-2.95,;1.71,-5.26,;.38,-4.49,;1.71,-6.77,;.38,-7.57,;.38,-9.11,;-.97,-6.77,;9.74,-2.15,;11.04,-1.38,;12.4,-2.13,;16.29,-4.56,;16.15,-6.1,;14.75,-6.73,;17.41,-6.98,;17.25,-8.52,;17.72,-3.93,;17.86,-2.39,;18.95,-4.81,;20.35,-4.18,;20.52,-2.64,;21.4,-1.38,;22.94,-1.36,;23.41,.11,;22.13,1,;20.91,.06,;21.61,-5.09,;21.45,-6.61,;23.01,-4.46,;22.69,-2.95,;24.02,-2.18,;25.16,-3.2,;24.53,-4.6,;25.32,-5.93,;24.55,-7.26,;26.86,-5.93,;27.63,-7.26,;26.86,-8.59,;27.66,-9.92,;26.89,-11.25,;27.66,-12.58,;29.2,-12.58,;29.97,-11.25,;29.2,-9.92,;29.17,-7.24,;29.94,-8.59,;29.94,-5.91,)|
Structure:
Search PDB for entries with ligand similarity: