Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216082
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
1.7±n/a nM
Citation
 Tomita, K; Oishi, S; Cluzeau, J; Ohno, H; Navenot, JM; Wang, ZX; Peiper, SC; Akamatsu, M; Fujii, N SAR and QSAR studies on the N-terminally acylated pentapeptide agonists for GPR54. J Med Chem 50:3222-8 (2007) [PubMed]  Article 
Target
Name:
KiSS-1 receptor
Synonyms:
AXOR12 | G-protein Coupled Receptor 54 | G-protein coupled receptor 54 (GPR54) | GPR54 | Hypogonadotropin-1 | KISS1R | KISSR_HUMAN | KiSS-1R | Kisspeptins receptor | Metastin receptor | hOT7T175
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42613.79
Organism:
Homo sapiens (Human)
Description:
Binding assay was performed using membranes from the CHO cell transfectants.
Residue:
398
Sequence:
MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGNSLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLALHRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAPADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYAAYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPHAELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL
  
Inhibitor
Name:
BDBM50216082
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-(1H-imidazol-4-ylformamido)-3-phenylpropanamido]acetamido}-4-methylpentanamide | CHEMBL268660
Type:
Small organic molecule
Emp. Form.:
C38H50N12O6
Mol. Mass.:
770.8804
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,42.43,wD:31.32,(8.11,-42.03,;8.11,-43.57,;9.44,-44.35,;6.78,-44.35,;6.78,-45.89,;5.44,-46.65,;4.11,-45.88,;4.11,-44.34,;2.77,-46.65,;1.44,-45.89,;.1,-46.65,;.1,-48.2,;-1.23,-45.89,;-1.23,-44.35,;.1,-43.57,;1.43,-44.34,;2.77,-43.57,;2.76,-42.03,;1.43,-41.26,;.09,-42.03,;-2.56,-46.66,;-3.9,-45.89,;-5.23,-46.65,;-3.89,-44.34,;-2.65,-43.44,;-3.12,-41.98,;-4.66,-41.98,;-5.13,-43.44,;8.11,-46.65,;8.11,-48.19,;9.44,-45.88,;10.78,-46.64,;10.78,-48.18,;12.12,-48.95,;12.12,-50.49,;13.45,-51.26,;13.45,-52.8,;12.12,-53.57,;14.78,-53.58,;12.12,-45.87,;12.12,-44.33,;13.45,-46.64,;14.78,-45.87,;14.78,-44.33,;16.11,-43.56,;17.51,-44.18,;18.54,-43.04,;17.77,-41.7,;18.25,-40.23,;17.21,-39.1,;15.7,-39.41,;15.23,-40.88,;16.27,-42.03,;16.11,-46.64,;17.44,-45.87,;16.11,-48.18,)|
Structure:
Search PDB for entries with ligand similarity: