Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50263388
Substrate
n/a
Meas. Tech.
ChEMBL_536378 (CHEMBL991599)
Ki
2.4±n/a nM
Citation
 Härterich, S; Koschatzky, S; Einsiedel, J; Gmeiner, P Novel insights into GPCR-peptide interactions: mutations in extracellular loop 1, ligand backbone methylations and molecular modeling of neurotensin receptor 1. Bioorg Med Chem 16:9359-68 (2008) [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:
BDBM50263388
Synonyms:
CHEMBL507382 | H-Arg-Arg-Pro-Tyr-Ile-Aac-OH
Type:
Small organic molecule
Emp. Form.:
C43H68N12O8
Mol. Mass.:
881.0756
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |r,wU:20.20,4.4,wD:2.2,27.36,38.40,8.17,TLB:56:55:59:52.51.50,56:51:54.55.57:59,THB:50:51:54:57.58.59,50:58:54:52.56.51,49:50:54.55.57:59,(11.88,-32.97,;11.9,-34.51,;13.25,-35.26,;14.57,-34.47,;13.27,-36.8,;11.96,-37.6,;10.61,-36.85,;10.58,-35.31,;9.29,-37.65,;9.31,-39.18,;10.65,-39.93,;11.97,-39.14,;13.31,-39.89,;13.33,-41.46,;14.72,-42.15,;12.02,-42.21,;10.68,-41.47,;7.94,-36.89,;6.62,-37.68,;6.64,-39.21,;5.27,-36.93,;5.09,-35.39,;3.58,-35.1,;2.83,-36.44,;3.87,-37.57,;3.58,-39.08,;4.73,-40.11,;2.12,-39.6,;1.92,-41.11,;3.15,-42.06,;2.94,-43.58,;4.17,-44.51,;3.95,-46.04,;5.17,-46.97,;2.54,-46.63,;.97,-38.57,;-.48,-39.06,;-.68,-40.59,;-1.64,-38.04,;-1.31,-36.54,;-3.1,-38.53,;-4.18,-37.44,;-5.67,-37.84,;-6.76,-36.75,;-8.24,-37.15,;-8.63,-38.64,;-9.33,-36.07,;14.63,-37.55,;14.65,-39.09,;15.94,-36.75,;17.29,-37.5,;18.61,-38.26,;18.22,-39.64,;17.14,-40.56,;17.66,-42.22,;18.04,-40.72,;19.22,-39.78,;16.66,-39.93,;16.1,-38.43,;15.85,-39.83,;18.6,-36.73,;18.59,-35.19,;19.94,-37.48,)|
Structure:
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