Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50392490
Substrate
n/a
Meas. Tech.
ChEMBL_852184 (CHEMBL2157605)
EC50
0.029±n/a nM
Citation
 Asami, T; Nishizawa, N; Ishibashi, Y; Nishibori, K; Horikoshi, Y; Matsumoto, H; Ohtaki, T; Kitada, C Trypsin resistance of a decapeptide KISS1R agonist containing an N¿-methylarginine substitution. Bioorg Med Chem Lett 22:6328-32 (2012) [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:
BDBM50392490
Synonyms:
CHEMBL2152060
Type:
Small organic molecule
Emp. Form.:
C64H85N17O14
Mol. Mass.:
1316.4652
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:59.62,37.50,23.26,72.75,wD:51.58,29.34,12.20,4.4,84.87,(21,-27.74,;21,-26.2,;22.32,-25.43,;19.66,-25.43,;19.66,-23.89,;18.33,-23.12,;17,-23.89,;17,-25.43,;15.66,-23.12,;14.34,-23.89,;13,-23.12,;13,-21.58,;11.67,-23.89,;11.67,-25.43,;13,-26.2,;14.34,-25.43,;15.67,-26.2,;15.67,-27.74,;14.34,-28.51,;13,-27.73,;10.33,-23.12,;9.01,-23.89,;9.01,-25.43,;7.67,-23.12,;7.67,-21.58,;9.01,-20.82,;6.33,-23.89,;5,-23.12,;5,-21.58,;3.67,-23.89,;3.67,-25.43,;5,-26.2,;6.33,-25.43,;5,-27.74,;2.34,-23.12,;1,-23.89,;1,-25.43,;-.34,-23.12,;-.34,-21.58,;1,-20.82,;2.41,-21.44,;3.43,-20.29,;2.67,-18.96,;3.14,-17.5,;2.12,-16.35,;.61,-16.68,;.13,-18.14,;1.16,-19.28,;-1.66,-23.89,;-3,-23.12,;-3,-21.58,;-4.33,-23.89,;-4.33,-25.43,;-3,-26.2,;-1.66,-25.43,;-3,-27.74,;-5.66,-23.12,;-7,-23.89,;-7,-25.43,;-8.33,-23.12,;-9.66,-23.89,;-8.33,-21.58,;-7,-20.82,;-5.66,-21.58,;-4.33,-20.81,;-4.33,-19.28,;-3,-18.5,;-5.66,-18.51,;-7,-19.28,;21,-23.12,;21,-21.58,;22.32,-23.89,;23.66,-23.12,;23.67,-21.57,;25.01,-20.8,;25.01,-19.25,;26.35,-18.48,;26.35,-16.93,;27.7,-16.16,;27.7,-14.61,;29.03,-16.93,;25,-23.89,;25,-25.43,;26.33,-23.12,;27.66,-23.89,;27.66,-25.43,;28.99,-26.2,;30.33,-25.43,;31.67,-26.2,;31.67,-27.74,;30.33,-28.51,;28.99,-27.73,;28.99,-23.12,;30.33,-23.89,;28.99,-21.58,)|
Structure:
Search PDB for entries with ligand similarity: