Reaction Details Report a problem with these data
Target
Relaxin-3 receptor 2
Ligand
BDBM50534444
Substrate
n/a
Meas. Tech.
ChEMBL_1929027 (CHEMBL4432203)
EC50
<10000±n/a nM
Citation
 Hojo, K; Hossain, MA; Tailhades, J; Shabanpoor, F; Wong, LL; Ong-Pålsson, EE; Kastman, HE; Ma, S; Gundlach, AL; Rosengren, KJ; Wade, JD; Bathgate, RA Development of a Single-Chain Peptide Agonist of the Relaxin-3 Receptor Using Hydrocarbon Stapling. J Med Chem 59:7445-56 (2016) [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:
BDBM50534444
Synonyms:
CHEMBL4457624
Type:
Small organic molecule
Emp. Form.:
C112H175N33O27
Mol. Mass.:
2415.7928
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)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](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)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,c:89|
Structure:
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