Reaction Details Report a problem with these data
Target
Relaxin receptor 1
Ligand
BDBM50599231
Substrate
n/a
Meas. Tech.
ChEMBL_2229346 (CHEMBL5142859)
EC50
0.002500±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:
BDBM50599231
Synonyms:
CHEMBL5208579
Type:
Small organic molecule
Emp. Form.:
C27H29F7N2O6S
Mol. Mass.:
642.583
SMILES:
COc1cc(F)c(O[C@H]2CC[C@](C)(CC2)C(O)=O)cc1C(=O)N[C@H]1CC[C@H]1C(=O)Nc1ccc(F)c(c1)S(F)(F)(F)(F)F |r,wU:8.7,wD:26.29,23.24,11.11,(2.25,1.86,;.91,1.09,;-.41,1.86,;-.41,3.4,;-1.75,4.17,;-1.76,5.71,;-3.08,3.4,;-4.41,4.17,;-5.75,3.4,;-5.74,1.86,;-7.09,1.09,;-8.42,1.86,;-9.91,1.47,;-8.42,3.4,;-7.09,4.17,;-8.82,.38,;-10.31,-.02,;-7.73,-.72,;-3.08,1.85,;-1.74,1.08,;-1.75,-.46,;-3.08,-1.23,;-.41,-1.23,;-.41,-2.77,;-1.5,-3.86,;-.41,-4.95,;.68,-3.86,;2.16,-3.45,;2.16,-1.91,;3.5,-4.22,;4.83,-3.44,;4.82,-1.92,;6.15,-1.14,;7.49,-1.91,;8.83,-1.14,;7.49,-3.45,;6.16,-4.22,;8.83,-4.22,;10.16,-4.99,;7.34,-4.62,;8.43,-5.71,;9.23,-2.73,;10.31,-3.82,)|
Structure:
Search PDB for entries with ligand similarity: