Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50276350
Substrate
n/a
Meas. Tech.
ChEMBL_542684 (CHEMBL1015937)
Kd
1.55±n/a nM
Citation
 Zhang, L; Lee, HK; Pruess, TH; White, HS; Bulaj, G Synthesis and applications of polyamine amino acid residues: improving the bioactivity of an analgesic neuropeptide, neurotensin. J Med Chem 52:1514-7 (2009) [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:
BDBM50276350
Synonyms:
((N-methyl-Arg)-Lys-Pro-(L-neo-Trp)-(tert-Leu)-Leu) | CHEMBL508567
Type:
Small organic molecule
Emp. Form.:
C41H67N11O7
Mol. Mass.:
826.0402
SMILES:
CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2cc[nH]c12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r,wU:43.45,13.12,wD:29.29,2.1,47.49,25.26,(-8.1,-23.03,;-6.77,-22.26,;-5.43,-23.03,;-5.43,-24.57,;-6.77,-25.34,;-6.77,-26.88,;-8.1,-27.65,;-8.1,-29.19,;-9.43,-29.96,;-6.77,-29.96,;-4.1,-22.26,;-4.1,-20.72,;-2.77,-23.03,;-1.43,-22.26,;-1.43,-20.72,;-2.77,-19.95,;-2.77,-18.41,;-4.1,-17.64,;-4.1,-16.1,;-.1,-23.03,;1.24,-22.26,;-.1,-24.57,;-1.34,-25.48,;-.86,-26.95,;.68,-26.95,;1.16,-25.48,;2.62,-25,;2.94,-23.5,;3.77,-26.03,;5.3,-26.01,;6.1,-27.33,;5.35,-28.67,;3.81,-28.7,;3.07,-30.04,;3.86,-31.36,;5.42,-31.33,;6.47,-32.44,;7.86,-31.79,;7.66,-30.26,;6.15,-29.98,;6.05,-24.66,;5.26,-23.34,;7.59,-24.63,;8.33,-23.28,;9.87,-23.26,;10.67,-24.58,;10.62,-21.91,;12.16,-21.88,;12.95,-23.2,;14.49,-23.17,;15.29,-24.49,;15.24,-21.82,;12.91,-20.53,;12.11,-19.21,;14.45,-20.51,;7.54,-21.96,;6.81,-20.59,;6.2,-22.72,;8.89,-21.22,)|
Structure:
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