Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50443382
Substrate
n/a
Meas. Tech.
ChEMBL_1276096 (CHEMBL3089088)
Ki
0.980000±n/a nM
Citation
 Lang, C; Maschauer, S; Hübner, H; Gmeiner, P; Prante, O Synthesis and evaluation of a (18)F-labeled diarylpyrazole glycoconjugate for the imaging of NTS1-positive tumors. J Med Chem 56:9361-5 (2013) [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:
BDBM50443382
Synonyms:
CHEMBL3086356
Type:
Small organic molecule
Emp. Form.:
C50H67FN8O10
Mol. Mass.:
959.113
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |r,wU:42.45,49.53,44.48,wD:51.56,47.51,TLB:65:64:62:58.59.60,66:56:62:58.59.60,THB:55:56:62:58.59.60,65:59:56.64.63:62,60:59:56:63.61.62,60:61:56:58.65.59,66:56:58.65.59:63.61.62,(23.2,-13.51,;23.55,-12.01,;22.43,-10.95,;20.95,-11.39,;19.84,-10.33,;20.2,-8.83,;21.67,-8.39,;22.03,-6.89,;20.91,-5.84,;22.79,-9.45,;24.27,-9,;24.78,-7.54,;26.32,-7.58,;26.76,-9.05,;25.49,-9.93,;25.46,-11.47,;24.11,-12.2,;24.07,-13.74,;25.39,-14.54,;26.74,-13.79,;26.77,-12.26,;28.12,-11.51,;29.44,-12.3,;28.14,-9.97,;25.36,-16.08,;24.01,-16.83,;26.68,-16.88,;26.65,-18.42,;28.03,-16.13,;29.34,-16.93,;30.69,-16.19,;32.01,-16.98,;31.98,-18.52,;33.36,-16.24,;34.68,-17.04,;36.03,-16.29,;37.34,-17.09,;38.69,-16.35,;40.09,-17,;41.14,-15.87,;40.39,-14.52,;38.88,-14.81,;42.67,-16.06,;43.26,-17.49,;44.78,-17.68,;45.37,-19.1,;44.44,-20.33,;45.72,-16.46,;47.24,-16.65,;45.12,-15.04,;46.06,-13.81,;43.59,-14.84,;42.99,-13.42,;27.25,-6.35,;26.65,-4.93,;28.78,-6.55,;29.78,-5.37,;30.51,-3.78,;31.92,-3.82,;33.14,-3.05,;32.66,-1.59,;31.15,-1.49,;30.03,-2.38,;30.55,-2.99,;31.07,-4.49,;32.59,-4.58,;30.81,-6.52,;32.31,-6.2,;30.33,-7.98,)|
Structure:
Search PDB for entries with ligand similarity: