Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216076
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
3.3±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:
BDBM50216076
Synonyms:
(2S)-2-{2-[(2S)-2-[(4-{[bis(pyridin-2-ylmethyl)amino]methyl}phenyl)formamido]-3-phenylpropanamido]acetamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methylpentanamide | CHEMBL229655
Type:
Small organic molecule
Emp. Form.:
C54H65N13O6
Mol. Mass.:
992.1774
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,59.62,wD:48.51,(7.91,-1.59,;7.91,-3.13,;9.24,-3.91,;6.58,-3.91,;6.58,-5.45,;5.24,-6.21,;3.91,-5.44,;3.91,-3.89,;2.57,-6.21,;1.23,-5.44,;-.1,-6.22,;-.1,-7.76,;-1.43,-5.45,;-1.43,-3.91,;-.1,-3.13,;1.23,-3.9,;2.57,-3.13,;2.57,-1.59,;1.23,-.82,;-.11,-1.59,;-2.77,-6.21,;-4.1,-5.44,;-5.43,-6.21,;-4.1,-3.9,;-2.77,-3.13,;-2.77,-1.6,;-4.1,-.83,;-4.1,.71,;-2.77,1.48,;-2.77,3.02,;-4.1,3.79,;-4.1,5.32,;-5.43,6.09,;-6.76,5.32,;-6.76,3.78,;-5.43,3.01,;-1.44,.71,;-.11,1.48,;-.11,3.01,;1.21,3.78,;2.55,3.01,;2.55,1.48,;1.22,.71,;-5.44,-1.6,;-5.43,-3.13,;7.91,-6.22,;7.91,-7.76,;9.24,-5.44,;10.58,-6.2,;10.58,-7.74,;11.92,-8.51,;11.92,-10.05,;13.25,-10.83,;13.25,-12.37,;11.92,-13.14,;14.59,-13.14,;11.92,-5.42,;11.92,-3.88,;13.24,-6.2,;14.58,-5.43,;14.58,-3.88,;15.91,-3.12,;17.31,-3.74,;18.34,-2.59,;17.58,-1.26,;18.06,.21,;17.02,1.35,;15.51,1.04,;15.03,-.43,;16.07,-1.58,;15.91,-6.2,;17.24,-5.43,;15.91,-7.74,)|
Structure:
Search PDB for entries with ligand similarity: