Reaction Details Report a problem with these data
Target
Relaxin receptor 1
Ligand
BDBM50563200
Substrate
n/a
Meas. Tech.
ChEMBL_2081727 (CHEMBL4737518)
EC50
202±n/a nM
Citation
Mallart, S; Ingenito, R; Bianchi, E; Bresciani, A; Esposito, S; Gallo, M; Magotti, P; Monteagudo, E; Orsatti, L; Roversi, D; Santoprete, A; Tucci, F; Veneziano, M; Bartsch, R; Boehm, C; Brasseur, D; Bruneau, P; Corbier, A; Froissant, J; Gauzy-Lazo, L; Gervat, V; Marguet, F; Menguy, I; Minoletti, C; Nicolas, MF; Pasquier, O; Poirier, B; Raux, A; Riva, L; Janiak, P; Strobel, H; Duclos, O; Illiano, S Identification of Potent and Long-Acting Single-Chain Peptide Mimetics of Human Relaxin-2 for Cardiovascular Diseases. J Med Chem 64:2139-2150 (2021) [PubMed] Article
More Info.:
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:
BDBM50563200
Synonyms:
CHEMBL4792874
Type:
Small organic molecule
Emp. Form.:
C137H241N43O36S
Mol. Mass.:
3098.711
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NC[C@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r|