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TargetKiSS-1 receptor
LigandBDBM50203807
Substrate/Competitorn/a
Meas. Tech.ChEMBL_425686 (CHEMBL912002)
Ki 94.8±n/a nM
Citation Orsini, MJ; Klein, MA; Beavers, MP; Connolly, PJ; Middleton, SA; Mayo, KH Metastin (KiSS-1) mimetics identified from peptide structure-activity relationship-derived pharmacophores and directed small molecule database screening. J Med Chem50:462-71 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
KiSS-1 receptor
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:
MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGN
SLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNY
IQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLAL
HRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAP
ADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYA
AYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPH
AELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50203807
n/a
NameBDBM50203807
Synonyms:CHEMBL374077 | LPNYNWNSFGLRF-NH2
TypeSmall organic molecule
Emp. Form.C81H112N22O19
Mol. Mass.1697.892
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](C)C(=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:87.92,16.16,72.75,58.61,100.104,36.37,wD:12.13,4.4,66.69,24.24,44.45,92.96,111.115,(-21.16,-38.2,;-20.07,-37.12,;-20.46,-35.63,;-18.58,-37.52,;-17.5,-36.43,;-17.89,-34.94,;-16,-36.83,;-14.92,-35.74,;-15.69,-38.34,;-16.71,-39.48,;-15.94,-40.8,;-14.44,-40.48,;-14.28,-38.96,;-12.95,-38.19,;-12.95,-36.65,;-11.48,-38.64,;-10.03,-38.11,;-10.03,-36.57,;-8.7,-35.79,;-7.37,-36.57,;-8.7,-34.26,;-8.7,-38.88,;-8.7,-40.42,;-7.47,-37.95,;-6.33,-38.98,;-6.33,-40.52,;-5,-41.29,;-3.68,-40.52,;-2.36,-41.29,;-2.36,-42.83,;-1.02,-43.6,;-3.68,-43.59,;-5,-42.82,;-5,-38.21,;-5,-36.67,;-3.67,-38.98,;-2.34,-38.21,;-2.34,-36.67,;-1.01,-35.89,;.44,-36.34,;-1.01,-34.36,;-1.01,-38.98,;-1.01,-40.52,;.22,-38.05,;1.36,-39.09,;1.36,-40.62,;2.69,-41.39,;4.17,-40.77,;5.27,-41.85,;4.37,-43.11,;4.86,-44.46,;3.82,-45.49,;2.39,-45.18,;1.95,-43.77,;2.96,-42.75,;2.69,-38.31,;2.69,-36.77,;4.02,-39.09,;5.36,-38.31,;5.36,-36.77,;6.69,-36,;8.02,-36.77,;6.69,-34.46,;6.69,-39.09,;6.69,-40.62,;7.91,-38.15,;9.06,-39.19,;9.06,-40.72,;10.5,-41.17,;10.39,-38.41,;10.39,-36.87,;11.86,-38.87,;13.3,-38.33,;13.3,-36.79,;14.63,-36.02,;15.97,-36.79,;17.3,-36.01,;17.3,-34.47,;15.95,-33.69,;14.63,-34.49,;14.63,-39.11,;14.63,-40.64,;15.86,-38.18,;17,-39.21,;18.33,-38.44,;18.33,-36.89,;19.8,-38.89,;21.25,-38.36,;21.25,-36.82,;22.59,-39.13,;22.59,-40.66,;23.81,-38.2,;24.96,-39.23,;24.96,-40.77,;26.29,-41.54,;26.29,-43.08,;27.62,-40.77,;26.29,-38.46,;26.29,-36.92,;27.62,-39.23,;28.95,-38.46,;28.95,-36.92,;30.28,-36.15,;30.28,-34.61,;31.61,-33.84,;31.61,-32.3,;30.28,-31.53,;32.94,-31.53,;30.28,-39.23,;30.28,-40.77,;31.61,-38.46,;32.94,-39.23,;32.94,-40.77,;34.27,-41.54,;35.61,-40.77,;36.93,-41.54,;36.93,-43.07,;35.6,-43.84,;34.27,-43.07,;34.27,-38.46,;35.61,-39.23,;34.27,-36.92,)|
Structure
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