Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM466499
Substrate
n/a
Meas. Tech.
Functional Ca2+ Mobilisation Assay
IC50
7.54±n/a nM
Citation
 Osterkamp, F; Haase, C; Reineke, U; Smerling, C; Paschke, M; Ungewiß, J Conjugate comprising a neurotensin receptor ligand and use thereof US Patent  US10799605 Publication Date 10/13/2020 
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:
BDBM466499
Synonyms:
US10799605, Example 4
Type:
Small organic molecule
Emp. Form.:
C51H72N6O9
Mol. Mass.:
913.1522
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCN(C)C(=O)CCCC(O)=O)C(=O)NC1(C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C |TLB:48:49:51:54.55.53,THB:49:50:57.58.56:53,49:57:51.50.55:53,56:57:51:54.55.53,56:54:51:49.57.58,59:49:51:54.55.53,(-8.99,4.14,;-7.9,3.05,;-8.3,1.56,;-9.79,1.16,;-10.19,-.33,;-9.1,-1.42,;-7.61,-1.02,;-6.52,-2.11,;-6.92,-3.59,;-7.21,.47,;-5.73,.87,;-5.25,2.33,;-3.71,2.33,;-3.24,.87,;-4.48,-.04,;-4.48,-1.58,;-5.81,-2.35,;-5.81,-3.89,;-4.48,-4.66,;-3.15,-3.89,;-3.15,-2.35,;-1.81,-1.58,;-.48,-2.35,;-1.81,-.04,;-4.48,-6.2,;-5.81,-6.97,;-3.15,-6.97,;-3.15,-8.51,;-1.81,-6.2,;-.48,-6.97,;.85,-6.2,;2.19,-6.97,;2.19,-8.51,;3.52,-6.2,;4.85,-6.97,;6.19,-6.2,;7.52,-6.97,;7.52,-8.51,;8.86,-6.2,;10.19,-6.97,;8.86,-4.66,;7.52,-3.89,;7.52,-2.35,;6.19,-1.58,;6.19,-.04,;4.85,-2.35,;-2.62,3.42,;-3.02,4.91,;-1.13,3.02,;-.05,4.11,;-.69,5.51,;-1.96,6.39,;-1.45,7.84,;-.06,8.51,;1.27,7.86,;.63,6.46,;1.78,6.41,;.46,5.57,;-.8,6.44,;1.29,3.34,;2.62,4.11,;1.29,1.8,;2.62,1.03,;2.62,-.51,;3.96,1.8,;3.96,.26,)|
Structure:
Search PDB for entries with ligand similarity: