Reaction Details Report a problem with these data
Target
Relaxin receptor 1
Ligand
BDBM50599229
Substrate
n/a
Meas. Tech.
ChEMBL_2229346 (CHEMBL5142859)
EC50
0.000410±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:
BDBM50599229
Synonyms:
CHEMBL5194101
Type:
Small organic molecule
Emp. Form.:
C30H33F7N2O6S
Mol. Mass.:
682.647
SMILES:
[H][C@]12CC[C@]([H])(C1)[C@@H]([C@@H]2NC(=O)c1cc(O[C@H]2CC[C@](C)(CC2)C(O)=O)c(F)cc1OC)C(=O)Nc1ccc(F)c(c1)S(F)(F)(F)(F)F |r,wU:16.17,8.10,7.35,4.4,1.0,wD:19.21,(-3.05,-2.7,;-1.72,-3.47,;-1.72,-5,;-.39,-5.78,;.95,-5.01,;2.43,-5.4,;-.54,-4.56,;.96,-3.47,;-.38,-2.7,;-.38,-1.16,;-1.72,-.39,;-3.05,-1.16,;-1.71,1.15,;-3.05,1.92,;-3.05,3.47,;-4.38,4.24,;-5.71,3.47,;-5.71,1.93,;-7.05,1.15,;-8.38,1.93,;-9.87,1.54,;-8.38,3.47,;-7.05,4.24,;-8.78,.44,;-10.28,.05,;-7.7,-.65,;-1.72,4.24,;-1.73,5.78,;-.38,3.47,;-.38,1.92,;.95,1.15,;2.29,1.93,;2.29,-2.69,;2.29,-1.15,;3.62,-3.46,;4.95,-2.69,;4.94,-1.16,;6.27,-.39,;7.62,-1.16,;8.95,-.39,;7.62,-2.7,;6.28,-3.47,;8.95,-3.47,;8.94,-5.01,;7.61,-4.23,;8.54,-1.97,;10.04,-2.37,;10.28,-4.24,)|
Structure:
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