Reaction Details Report a problem with these data
Target
Relaxin-3 receptor 2
Ligand
BDBM50561920
Substrate
n/a
Meas. Tech.
ChEMBL_2076312 (CHEMBL4731846)
EC50
19±n/a nM
Citation
 Praveen, P; Tailhades, J; Rosengren, KJ; Liu, M; Wade, JD; Bathgate, RAD; Hossain, MA Effects of C-Terminal B-Chain Modifications in a Relaxin 3 Agonist Analogue. ACS Med Chem Lett 11:2336-2340 (2020) [PubMed]  Article 
Target
Name:
Relaxin-3 receptor 2
Synonyms:
G-protein coupled receptor 100 | G-protein coupled receptor GPCR142 | GPCR142 | GPR100 | Insulin-like peptide INSL5 receptor | RL3R2_HUMAN | RLN3 receptor 2 | RLN3R2 | RXFP4 | Relaxin family peptide receptor 4
Type:
PROTEIN
Mol. Mass.:
41161.14
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1456194
Residue:
374
Sequence:
MPTLNTSASPPTFFWANASGGSVLSADDAPMPVKFLALRLMVALAYGLVGAIGLLGNLAVLWVLSNCARRAPGPPSDTFVFNLALADLGLALTLPFWAAESALDFHWPFGGALCKMVLTATVLNVYASIFLITALSVARYWVVAMAAGPGTHLSLFWARIATLAVWAAAALVTVPTAVFGVEGEVCGVRLCLLRFPSRYWLGAYQLQRVVLAFMVPLGVITTSYLLLLAFLQRRQRRRQDSRVVARSVRILVASFFLCWFPNHVVTLWGVLVKFDLVPWNSTFYTIQTYVFPVTTCLAHSNSCLNPVLYCLLRREPRQALAGTFRDLRLRLWPQGGGWVQQVALKQVGRRWVASNPRESRPSTLLTNLDRGTPG
  
Inhibitor
Name:
BDBM50561920
Synonyms:
CHEMBL4764969
Type:
Small organic molecule
Emp. Form.:
C208H319N61O55S4
Mol. Mass.:
4682.394
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)N[C@H](COC(N)=O)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Structure:
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