Reaction Details Report a problem with these data
Target
Relaxin receptor 1
Ligand
BDBM50599228
Substrate
n/a
Meas. Tech.
ChEMBL_2229346 (CHEMBL5142859)
EC50
<0.002000±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:
BDBM50599228
Synonyms:
CHEMBL5179696
Type:
Small organic molecule
Emp. Form.:
C31H34F4N2O8S
Mol. Mass.:
670.669
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)Nc1cccc(c1)S(=O)(=O)C(F)(F)F |r,wU:16.17,8.10,7.35,4.4,1.0,wD:19.21,(-3.72,-2.7,;-2.39,-3.47,;-2.39,-5,;-1.06,-5.78,;.28,-5.01,;1.76,-5.4,;-1.21,-4.56,;.29,-3.47,;-1.05,-2.7,;-1.05,-1.16,;-2.39,-.39,;-3.72,-1.16,;-2.38,1.15,;-3.72,1.92,;-3.72,3.47,;-5.04,4.24,;-6.38,3.47,;-6.37,1.93,;-7.72,1.15,;-9.05,1.93,;-10.54,1.54,;-9.05,3.47,;-7.72,4.24,;-9.45,.44,;-10.94,.05,;-8.36,-.65,;-2.39,4.24,;-2.39,5.78,;-1.05,3.47,;-1.05,1.92,;.28,1.15,;1.62,1.93,;1.62,-2.69,;1.62,-1.15,;2.95,-3.46,;4.28,-2.69,;4.28,-1.16,;5.6,-.39,;6.95,-1.16,;6.95,-2.7,;5.61,-3.47,;8.28,-3.47,;9.03,-4.79,;7.51,-4.79,;9.61,-2.7,;8.82,-1.36,;10.38,-1.35,;10.94,-3.47,)|
Structure:
Search PDB for entries with ligand similarity: