Reaction Details  Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50319375
Substrate
n/a
Meas. Tech.
ChEMBL_634039 (CHEMBL1118311)
IC50
8300±n/a nM
Citation
 Richter, S; Ramenda, T; Bergmann, R; Kniess, T; Steinbach, J; Pietzsch, J; Wuest, F Synthesis of neurotensin(8-13)-phosphopeptide heterodimers via click chemistry. Bioorg Med Chem Lett 20:3306-9 (2010) [PubMed]  Article
Target
Name:
Neurotensin receptor type 1
Synonyms:
Dopamine receptor D2L/neurotensin receptor NTS1 | NTR1_HUMAN | NTRR | NTSR1 | Neurotensin receptor 1 | neurotensin receptor type 1
Type:
PROTEIN
Mol. Mass.:
46278.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1453811
Residue:
418
Sequence:
MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
  
Inhibitor
Name:
BDBM50319375
Synonyms:
(2R,3S,6S,9S,12S)-9-(3-amino-3-oxopropyl)-18-(4-(4-((S)-1-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3-methylbutylamino)-4-methyl-1-oxopentan-2-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-ylcarbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-ylamino)-5-guanidino-1-oxopentan-2-ylamino)-4-oxobutyl)-1H-1,2,3-triazol-1-yl)-3-((S)-2-((S)-1-carboxy-3-methylbutylcarbamoyl)pyrrolidine-1-carbonyl)-6-(hydroxymethyl)-12-(2-(methylthio)ethyl)-5,8,11,14-tetraoxo-4,7,10,13-tetraazaoctadecan-2-yl phosphate | CHEMBL1086463
Type:
Small organic molecule
Emp. Form.:
C77H127N22O23PS
Mol. Mass.:
1792.005
SMILES:
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Structure:
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