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TargetG-protein Coupled Receptor 54
LigandBDBM50203803
Substrate/Competitorn/a
Meas. Tech.ChEMBL_425686
Ki 1.1±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:
BDBM50203803
n/a
NameBDBM50203803
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}-2-hydroxyethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]butanediamide | CHEMBL373467
TypeSmall organic molecule
Emp. Form.C78H107N21O18
Mol. Mass.1626.8141
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](CO)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:58.61,4.4,72.75,87.91,36.37,12.13,106.110,wD:66.69,24.24,95.99,16.16,44.45,(-13.2,3.34,;-13.16,1.8,;-14.49,1.01,;-11.81,1.05,;-11.81,-.5,;-13.14,-1.27,;-10.47,-1.27,;-10.47,-2.81,;-9.14,-.51,;-8.66,.95,;-7.12,.95,;-6.65,-.51,;-7.9,-1.42,;-7.9,-2.96,;-9.24,-3.73,;-6.57,-3.73,;-6.57,-5.27,;-7.91,-6.04,;-7.91,-7.58,;-6.57,-8.35,;-9.24,-8.35,;-5.24,-6.04,;-5.24,-7.58,;-3.9,-5.27,;-2.57,-6.04,;-2.57,-7.59,;-1.24,-8.36,;-1.25,-9.89,;.08,-10.66,;1.42,-9.9,;2.75,-10.67,;1.42,-8.35,;.09,-7.59,;-1.24,-5.28,;-1.24,-3.74,;.1,-6.05,;1.43,-5.28,;1.43,-3.74,;2.77,-2.97,;4.1,-3.74,;2.77,-1.43,;2.76,-6.05,;2.76,-7.59,;4.1,-5.28,;5.43,-6.05,;5.43,-7.59,;6.76,-8.36,;8.01,-7.37,;9.25,-8.36,;8.77,-9.83,;9.53,-11.15,;8.77,-12.47,;7.23,-12.47,;6.47,-11.14,;7.24,-9.82,;6.77,-5.28,;6.77,-3.74,;8.1,-6.06,;9.43,-5.29,;9.43,-3.75,;10.77,-2.98,;12.1,-3.75,;10.77,-1.44,;10.77,-6.06,;10.76,-7.6,;12.1,-5.29,;13.43,-6.06,;13.43,-7.6,;14.76,-8.37,;14.77,-5.29,;14.77,-3.75,;16.1,-6.06,;17.44,-5.3,;17.44,-3.76,;18.77,-2.99,;20.1,-3.76,;21.44,-3,;21.44,-1.45,;20.1,-.68,;18.77,-1.46,;18.77,-6.07,;18.77,-7.61,;20.1,-5.3,;21.44,-6.07,;22.77,-5.3,;22.77,-3.76,;24.1,-6.07,;25.44,-5.3,;25.44,-3.76,;26.77,-3,;26.78,-1.46,;28.11,-3.77,;26.77,-6.08,;26.77,-7.62,;28.1,-5.31,;29.44,-6.08,;29.44,-7.62,;30.77,-8.39,;30.77,-9.93,;32.1,-10.7,;32.1,-12.24,;33.43,-13.01,;30.76,-13.01,;30.77,-5.31,;30.77,-3.77,;32.1,-6.08,;33.44,-5.31,;33.44,-3.77,;34.78,-3,;36.1,-3.79,;37.44,-3.02,;37.44,-1.48,;36.1,-.7,;34.77,-1.48,;34.77,-6.08,;36.11,-5.32,;34.77,-7.62,)|
Structure
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