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TargetG-protein Coupled Receptor 54
LigandBDBM50203781
Substrate/Competitorn/a
Meas. Tech.ChEMBL_425686
Ki 0.8±n/a nM
Citation Orsini MJKlein MABeavers MPConnolly PJMiddleton SAMayo KH Metastin (KiSS-1) mimetics identified from peptide structure-activity relationship-derived pharmacophores and directed small molecule database screening. J Med Chem 50:462-71 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
G-protein Coupled Receptor 54
Name:G-protein Coupled Receptor 54
Synonyms:G-protein coupled receptor 54 (GPR54) | Hypogonadotropin-1 | 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:
MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGN
SLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNY
IQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLAL
HRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAP
ADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYA
AYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPH
AELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50203781
n/a
NameBDBM50203781
Synonyms:(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]butanediamide | CHEMBL375982
TypeSmall organic molecule
Emp. Form.C78H107N21O17
Mol. Mass.1610.8147
SMILESCC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:58.61,4.4,71.74,86.90,36.37,12.13,105.109,wD:66.70,24.24,94.98,16.16,44.45,(-10.05,-20.48,;-10.03,-22.02,;-11.35,-22.81,;-8.68,-22.76,;-8.68,-24.32,;-10.01,-25.09,;-7.34,-25.09,;-7.34,-26.63,;-6.01,-24.33,;-5.53,-22.87,;-3.99,-22.87,;-3.52,-24.33,;-4.77,-25.24,;-4.77,-26.78,;-6.11,-27.55,;-3.44,-27.55,;-3.44,-29.09,;-4.77,-29.86,;-4.78,-31.4,;-3.44,-32.17,;-6.11,-32.17,;-2.11,-29.86,;-2.11,-31.4,;-.77,-29.09,;.56,-29.86,;.56,-31.4,;1.89,-32.18,;1.88,-33.71,;3.22,-34.48,;4.55,-33.71,;5.89,-34.48,;4.55,-32.17,;3.23,-31.41,;1.89,-29.1,;1.9,-27.56,;3.23,-29.87,;4.56,-29.1,;4.56,-27.56,;5.9,-26.79,;7.23,-27.56,;5.9,-25.25,;5.89,-29.87,;5.89,-31.41,;7.23,-29.1,;8.56,-29.87,;8.56,-31.41,;9.89,-32.18,;11.14,-31.19,;12.38,-32.18,;11.9,-33.65,;12.66,-34.97,;11.9,-36.29,;10.36,-36.29,;9.6,-34.96,;10.37,-33.64,;9.9,-29.1,;9.9,-27.56,;11.23,-29.88,;12.56,-29.11,;12.57,-27.57,;13.9,-26.8,;15.23,-27.57,;13.9,-25.26,;13.9,-29.88,;13.9,-31.42,;15.23,-29.11,;16.56,-29.88,;16.56,-31.42,;17.9,-29.11,;17.9,-27.57,;19.23,-29.88,;20.57,-29.12,;20.57,-27.58,;21.9,-26.81,;23.23,-27.58,;24.57,-26.82,;24.57,-25.27,;23.23,-24.5,;21.9,-25.27,;21.9,-29.89,;21.9,-31.43,;23.23,-29.12,;24.57,-29.89,;25.9,-29.12,;25.9,-27.58,;27.23,-29.89,;28.57,-29.12,;28.57,-27.58,;29.9,-26.82,;29.91,-25.28,;31.24,-27.59,;29.9,-29.9,;29.9,-31.44,;31.24,-29.13,;32.57,-29.9,;32.57,-31.44,;33.9,-32.21,;33.9,-33.75,;35.23,-34.52,;35.23,-36.06,;36.56,-36.83,;33.9,-36.83,;33.9,-29.13,;33.91,-27.59,;35.24,-29.9,;36.57,-29.13,;36.57,-27.59,;37.91,-26.82,;39.24,-27.6,;40.57,-26.84,;40.57,-25.3,;39.23,-24.52,;37.9,-25.3,;37.9,-29.9,;39.24,-29.13,;37.9,-31.44,)|
Structure
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