Reaction Details Report a problem with these data
Target
KiSS-1 receptor
Ligand
BDBM50216072
Substrate
n/a
Meas. Tech.
ChEMBL_439840 (CHEMBL890161)
EC50
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:
BDBM50216072
Synonyms:
2-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}phenyl 2-hydroxybenzoate | CHEMBL387875
Type:
Small organic molecule
Emp. Form.:
C48H56N10O9
Mol. Mass.:
917.0198
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1OC(=O)c1ccccc1O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,53.55,wD:42.44,(10.59,-21.53,;10.59,-23.07,;11.92,-23.84,;9.25,-23.84,;9.25,-25.39,;7.91,-26.15,;6.58,-25.37,;6.58,-23.82,;5.24,-26.14,;3.9,-25.38,;2.57,-26.15,;2.57,-27.7,;1.24,-25.39,;1.24,-23.84,;2.57,-23.07,;3.9,-23.84,;5.24,-23.07,;5.24,-21.52,;3.9,-20.76,;2.56,-21.53,;-.1,-26.15,;-1.43,-25.38,;-2.76,-26.14,;-1.43,-23.84,;-.09,-23.08,;-.09,-21.54,;-1.42,-20.77,;-2.76,-21.55,;-2.75,-23.08,;-4.08,-23.85,;-5.42,-23.08,;-6.75,-23.86,;-5.42,-21.55,;-4.09,-20.78,;-4.09,-19.24,;-5.43,-18.48,;-6.76,-19.26,;-6.75,-20.79,;-8.08,-21.56,;10.59,-26.15,;10.59,-27.69,;11.91,-25.37,;13.25,-26.14,;13.25,-27.68,;14.59,-28.45,;14.59,-29.99,;15.92,-30.76,;15.93,-32.3,;14.6,-33.07,;17.26,-33.08,;14.59,-25.36,;14.59,-23.82,;15.92,-26.14,;17.25,-25.37,;17.25,-23.82,;18.58,-23.05,;19.99,-23.68,;21.02,-22.53,;20.25,-21.19,;20.73,-19.72,;19.69,-18.58,;18.18,-18.9,;17.7,-20.37,;18.74,-21.52,;18.58,-26.14,;19.91,-25.37,;18.58,-27.68,)|
Structure:
Search PDB for entries with ligand similarity: