Reaction Details Report a problem with these data
Target
Relaxin receptor 1
Ligand
BDBM50599232
Substrate
n/a
Meas. Tech.
ChEMBL_2229346 (CHEMBL5142859)
EC50
0.000700±n/a nM
Citation
 Sabnis, RW Novel RXFP1Modulators for Treating Heart Failure. ACS Med Chem Lett 13:1213-1214 (2022) [PubMed] 
Target
Name:
Relaxin receptor 1
Synonyms:
LGR7 | Leucine-rich repeat-containing G-protein coupled receptor 7 | RXFP1 | RXFP1_HUMAN | Relaxin family peptide receptor 1
Type:
PROTEIN
Mol. Mass.:
86990.83
Organism:
Homo sapiens (Human)
Description:
ChEMBL_818426
Residue:
757
Sequence:
MTSGSVFFYILIFGKYFSHGGGQDVKCSLGYFPCGNITKCLPQLLHCNGVDDCGNQADEDNCGDNNGWSLQFDKYFASYYKMTSQYPFEAETPECLVGSVPVQCLCQGLELDCDETNLRAVPSVSSNVTAMSLQWNLIRKLPPDCFKNYHDLQKLYLQNNKITSISIYAFRGLNSLTKLYLSHNRITFLKPGVFEDLHRLEWLIIEDNHLSRISPPTFYGLNSLILLVLMNNVLTRLPDKPLCQHMPRLHWLDLEGNHIHNLRNLTFISCSNLTVLVMRKNKINHLNENTFAPLQKLDELDLGSNKIENLPPLIFKDLKELSQLNLSYNPIQKIQANQFDYLVKLKSLSLEGIEISNIQQRMFRPLMNLSHIYFKKFQYCGYAPHVRSCKPNTDGISSLENLLASIIQRVFVWVVSAVTCFGNIFVICMRPYIRSENKLYAMSIISLCCADCLMGIYLFVIGGFDLKFRGEYNKHAQLWMESTHCQLVGSLAILSTEVSVLLLTFLTLEKYICIVYPFRCVRPGKCRTITVLILIWITGFIVAFIPLSNKEFFKNYYGTNGVCFPLHSEDTESIGAQIYSVAIFLGINLAAFIIIVFSYGSMFYSVHQSAITATEIRNQVKKEMILAKRFFFIVFTDALCWIPIFVVKFLSLLQVEIPGTITSWVVIFILPINSALNPILYTLTTRPFKEMIHRFWYNYRQRKSMDSKGQKTYAPSFIWVEMWPLQEMPPELMKPDLFTYPCEMSLISQSTRLNSYS
  
Inhibitor
Name:
BDBM50599232
Synonyms:
CHEMBL5206759
Type:
Small organic molecule
Emp. Form.:
C31H34F4N2O9S
Mol. Mass.:
686.668
SMILES:
[H][C@@]12CC[C@@]([H])(C1)[C@@H]([C@@H]2NC(=O)c1cc(O[C@H]2CC[C@](CO)(CC2)C(O)=O)c(F)cc1OC)C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F |r,wU:16.17,8.10,7.36,wD:19.21,1.0,4.4,(-3.38,-2.69,;-2.05,-3.46,;-2.05,-5,;-.72,-5.77,;.62,-5,;1.95,-5.77,;-.87,-4.57,;.63,-3.46,;-.71,-2.7,;-.71,-1.16,;-2.05,-.39,;-3.38,-1.16,;-2.04,1.15,;-3.38,1.92,;-3.38,3.46,;-4.7,4.23,;-6.04,3.46,;-6.03,1.92,;-7.38,1.15,;-8.71,1.93,;-10.2,1.54,;-11.29,2.63,;-8.71,3.47,;-7.38,4.23,;-9.11,.45,;-10.61,.05,;-8.02,-.65,;-2.05,4.23,;-2.05,5.77,;-.71,3.47,;-.71,1.92,;.62,1.15,;1.96,1.92,;1.96,-2.69,;1.96,-1.15,;3.3,-3.46,;4.62,-2.69,;4.62,-1.16,;5.95,-.38,;7.29,-1.15,;7.29,-2.69,;5.95,-3.46,;8.62,-3.46,;9.37,-4.79,;7.85,-4.79,;9.95,-2.69,;9.16,-1.36,;10.72,-1.35,;11.29,-3.46,)|
Structure:
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