Reaction Details Report a problem with these data
Target
Relaxin-3 receptor 2
Ligand
BDBM50558041
Substrate
n/a
Meas. Tech.
ChEMBL_2061713 (CHEMBL4716966)
EC50
100±n/a nM
Citation
 Patil, NA; Hughes, RA; Rosengren, KJ; Kocan, M; Ang, SY; Tailhades, J; Separovic, F; Summers, RJ; Grosse, J; Wade, JD; Bathgate, RA; Hossain, MA Engineering of a Novel Simplified Human Insulin-Like Peptide 5 Agonist. J Med Chem 59:2118-25 (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:
BDBM50558041
Synonyms:
CHEMBL4783899
Type:
Small organic molecule
Emp. Form.:
C180H291N49O58S5
Mol. Mass.:
4229.855
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
Structure:
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