Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216070
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
5±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:
BDBM50216070
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-[(2-hydroxyphenyl)formamido]-3-phenylpropanamido]acetamido}-4-methylpentanamide | CHEMBL268661
Type:
Small organic molecule
Emp. Form.:
C41H52N10O7
Mol. Mass.:
796.9144
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(8.68,-8.82,;8.68,-10.36,;10.01,-11.13,;7.35,-11.13,;7.35,-12.67,;6.01,-13.44,;4.68,-12.67,;4.68,-11.12,;3.34,-13.44,;2.01,-12.67,;.67,-13.44,;.67,-14.99,;-.66,-12.67,;-.66,-11.13,;.67,-10.36,;2,-11.13,;3.34,-10.36,;3.34,-8.82,;2,-8.05,;.66,-8.82,;-1.99,-13.45,;-3.32,-12.67,;-4.65,-13.44,;-3.32,-11.14,;-1.99,-10.38,;-1.99,-8.84,;-3.32,-8.07,;-4.65,-8.85,;-4.65,-10.38,;-5.98,-11.15,;8.68,-13.44,;8.68,-14.98,;10.01,-12.66,;11.35,-13.43,;11.35,-14.97,;12.69,-15.74,;12.69,-17.28,;14.02,-18.05,;14.02,-19.59,;12.69,-20.36,;15.36,-20.36,;12.69,-12.65,;12.69,-11.11,;14.02,-13.43,;15.35,-12.66,;15.35,-11.11,;16.68,-10.35,;18.08,-10.97,;19.11,-9.82,;18.35,-8.49,;18.82,-7.02,;17.78,-5.88,;16.28,-6.2,;15.8,-7.67,;16.84,-8.81,;16.68,-13.43,;18.01,-12.66,;16.68,-14.96,)|
Structure:
Search PDB for entries with ligand similarity: