Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216079
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
0.8±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:
BDBM50216079
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methyl-2-{2-[(2S)-3-phenyl-2-(pyridin-2-ylformamido)propanamido]acetamido}pentanamide | CHEMBL268579
Type:
Small organic molecule
Emp. Form.:
C40H51N11O6
Mol. Mass.:
781.903
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,43.44,wD:32.33,(8.46,-23.31,;8.46,-24.85,;9.79,-25.63,;7.12,-25.63,;7.12,-27.17,;5.79,-27.93,;4.45,-27.16,;4.45,-25.61,;3.12,-27.93,;1.78,-27.17,;.45,-27.93,;.45,-29.48,;-.88,-27.17,;-.88,-25.63,;.44,-24.85,;1.78,-25.62,;3.11,-24.85,;3.11,-23.31,;1.78,-22.54,;.44,-23.31,;-2.22,-27.94,;-3.55,-27.16,;-4.88,-27.93,;-3.55,-25.63,;-2.22,-24.86,;-2.22,-23.33,;-3.55,-22.56,;-4.88,-23.33,;-4.88,-24.86,;8.46,-27.93,;8.46,-29.47,;9.79,-27.16,;11.13,-27.92,;11.13,-29.46,;12.46,-30.23,;12.46,-31.77,;13.79,-32.54,;13.8,-34.08,;12.47,-34.85,;15.13,-34.86,;12.46,-27.14,;12.46,-25.6,;13.79,-27.92,;15.13,-27.15,;15.13,-25.6,;16.45,-24.84,;17.86,-25.46,;18.89,-24.32,;18.12,-22.98,;18.6,-21.51,;17.56,-20.37,;16.05,-20.69,;15.58,-22.16,;16.61,-23.3,;16.45,-27.92,;17.78,-27.15,;16.45,-29.46,)|
Structure:
Search PDB for entries with ligand similarity: