Reaction Details Report a problem with these data
Target
Atrial natriuretic peptide receptor 1
Ligand
BDBM50230988
Substrate
n/a
Meas. Tech.
ChEMBL_1645075 (CHEMBL3994004)
EC50
8.1±n/a nM
Citation
 Iwaki, T; Oyama, Y; Tomoo, T; Tanaka, T; Okamura, Y; Sugiyama, M; Yamaki, A; Furuya, M Discovery and dimeric approach of novel Natriuretic Peptide Receptor A (NPR-A) agonists. Bioorg Med Chem 25:1762-1769 (2017) [PubMed]  Article 
Target
Name:
Atrial natriuretic peptide receptor 1
Synonyms:
ANP-A | ANPRA | ANPRA_HUMAN | Atrial natriuretic peptide A-type receptor | Atrial natriuretic peptide receptor | Atrial natriuretic peptide receptor A | GC-A | Guanylate cyclase | NPR-A | NPR1
Type:
PROTEIN
Mol. Mass.:
118919.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_700223
Residue:
1061
Sequence:
MPGPRRPAGSRLRLLLLLLLPPLLLLLRGSHAGNLTVAVVLPLANTSYPWSWARVGPAVELALAQVKARPDLLPGWTVRTVLGSSENALGVCSDTAAPLAAVDLKWEHNPAVFLGPGCVYAAAPVGRFTAHWRVPLLTAGAPALGFGVKDEYALTTRAGPSYAKLGDFVAALHRRLGWERQALMLYAYRPGDEEHCFFLVEGLFMRVRDRLNITVDHLEFAEDDLSHYTRLLRTMPRKGRVIYICSSPDAFRTLMLLALEAGLCGEDYVFFHLDIFGQSLQGGQGPAPRRPWERGDGQDVSARQAFQAAKIITYKDPDNPEYLEFLKQLKHLAYEQFNFTMEDGLVNTIPASFHDGLLLYIQAVTETLAHGGTVTDGENITQRMWNRSFQGVTGYLKIDSSGDRETDFSLWDMDPENGAFRVVLNYNGTSQELVAVSGRKLNWPLGYPPPDIPKCGFDNEDPACNQDHLSTLEVLALVGSLSLLGILIVSFFIYRKMQLEKELASELWRVRWEDVEPSSLERHLRSAGSRLTLSGRGSNYGSLLTTEGQFQVFAKTAYYKGNLVAVKRVNRKRIELTRKVLFELKHMRDVQNEHLTRFVGACTDPPNICILTEYCPRGSLQDILENESITLDWMFRYSLTNDIVKGMLFLHNGAICSHGNLKSSNCVVDGRFVLKITDYGLESFRDLDPEQGHTVYAKKLWTAPELLRMASPPVRGSQAGDVYSFGIILQEIALRSGVFHVEGLDLSPKEIIERVTRGEQPPFRPSLALQSHLEELGLLMQRCWAEDPQERPPFQQIRLTLRKFNRENSSNILDNLLSRMEQYANNLEELVEERTQAYLEEKRKAEALLYQILPHSVAEQLKRGETVQAEAFDSVTIYFSDIVGFTALSAESTPMQVVTLLNDLYTCFDAVIDNFDVYKVETIGDAYMVVSGLPVRNGRLHACEVARMALALLDAVRSFRIRHRPQEQLRLRIGIHTGPVCAGVVGLKMPRYCLFGDTVNTASRMESNGEALKIHLSSETKAVLEEFGGFELELRGDVEMKGKGKVRTYWLLGERGSSTRG
  
Inhibitor
Name:
BDBM50230988
Synonyms:
CHEMBL4089697
Type:
Small organic molecule
Emp. Form.:
C36H48F12N20O10
Mol. Mass.:
1148.8752
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC2CCC(CC2)Nc2nc(NC(N)=N)nc(n2)N2C(CC(C)C)C(=O)N=C2N)nc(NC(N)=N)n1 |c:31,67,(32.04,-9.35,;30.7,-8.58,;30.71,-7.04,;29.37,-9.35,;28.16,-10.05,;27.86,-8.78,;29.11,-10.94,;34.89,-15.88,;33.55,-15.11,;33.56,-13.57,;32.22,-15.88,;31,-16.58,;30.71,-15.31,;31.96,-17.47,;14.68,-11.45,;13.34,-10.68,;13.35,-9.14,;12.01,-11.45,;10.8,-12.15,;10.5,-10.88,;11.75,-13.04,;17.66,-21.6,;16.32,-20.83,;16.33,-19.29,;14.99,-21.6,;13.77,-22.3,;13.48,-21.03,;14.73,-23.19,;25.36,-7.78,;23.88,-7.36,;23.51,-5.86,;22.77,-8.43,;21.29,-8,;20.07,-8.94,;18.8,-8.07,;17.35,-8.6,;19.23,-6.59,;20.77,-6.54,;21.63,-5.28,;20.12,-10.48,;21.48,-11.21,;21.52,-12.75,;22.88,-13.47,;22.93,-15.02,;21.62,-15.83,;21.66,-17.37,;23.03,-18.1,;24.33,-17.28,;24.28,-15.74,;23.07,-19.63,;24.42,-20.36,;25.74,-19.55,;27.09,-20.28,;28.4,-19.47,;29.76,-20.19,;29.8,-21.73,;31.07,-19.39,;27.14,-21.82,;25.83,-22.63,;24.47,-21.9,;25.88,-24.17,;24.66,-25.11,;23.18,-24.69,;22.07,-25.75,;20.59,-25.33,;22.44,-27.25,;25.18,-26.56,;24.32,-27.83,;26.72,-26.51,;27.15,-25.04,;28.6,-24.51,;20.21,-13.56,;18.85,-12.83,;17.55,-13.64,;17.6,-15.18,;18.95,-15.91,;16.29,-15.99,;18.81,-11.29,)|
Structure:
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