Reaction Details Report a problem with these data
Target
Neurotensin receptor type 2
Ligand
BDBM50019417
Substrate
n/a
Meas. Tech.
ChEMBL_1364517 (CHEMBL3295314)
Ki
116±n/a nM
Citation
 Thomas, JB; Giddings, AM; Wiethe, RW; Olepu, S; Warner, KR; Sarret, P; Gendron, L; Longpre, JM; Zhang, Y; Runyon, SP; Gilmour, BP Identification of 1-({[1-(4-fluorophenyl)-5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)cyclohexane carboxylic acid as a selective nonpeptide neurotensin receptor type 2 compound. J Med Chem 57:5318-32 (2014) [PubMed]  Article 
Target
Name:
Neurotensin receptor type 2
Synonyms:
High-affinity levocabastine-sensitive neurotensin receptor | NT-R-2 | NTR2_RAT | Neurotensin receptor 2 | Neurotensin receptor type 2 | Ntr2 | Ntsr2
Type:
PROTEIN
Mol. Mass.:
46280.50
Organism:
Rattus norvegicus
Description:
ChEMBL_1466615
Residue:
416
Sequence:
METSSPWPPRPSPSAGLSLEARLGVDTRLWAKVLFTALYSLIFAFGTAGNALSVHVVLKARAGRPGRLRYHVLSLALSALLLLLVSMPMELYNFVWSHYPWVFGDLGCRGYYFVRELCAYATVLSVASLSAERCLAVCQPLRARRLLTPRRTRRLLSLVWVASLGLALPMAVIMGQKHEVESADGEPEPASRVCTVLVSRATLQVFIQVNVLVSFALPLALTAFLNGITVNHLMALYSQVPSASAQVSSIPSRLELLSEEGLLGFITWRKTLSLGVQASLVRHKDASQIRSLQHSAQVLRAIVAVYVICWLPYHARRLMYCYIPDDGWTNELYDFYHYFYMVTNTLFYVSSAVTPILYNAVSSSFRKLFLESLGSLCGEQHSLVPLPQEAPESTTSTYSFRLWGSPRNPSLGEIQV
  
Inhibitor
Name:
BDBM50019417
Synonyms:
CHEMBL3290101
Type:
Small organic molecule
Emp. Form.:
C29H29N3O5
Mol. Mass.:
499.5577
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1cccc2ccccc12)C(=O)NC1(CCCCC1)C(O)=O |(20.81,-16.86,;21.28,-15.39,;22.79,-15.07,;23.82,-16.21,;25.33,-15.89,;25.8,-14.43,;24.77,-13.29,;25.25,-11.82,;26.75,-11.5,;23.27,-13.61,;21.93,-12.12,;22.25,-10.61,;20.91,-9.84,;19.77,-10.87,;20.39,-12.28,;19.39,-14.01,;20.16,-15.35,;19.39,-16.68,;17.85,-16.68,;17.08,-15.35,;15.54,-15.35,;14.77,-14.01,;15.54,-12.68,;17.08,-12.68,;17.85,-14.01,;20.75,-8.31,;22,-7.41,;19.34,-7.68,;19.18,-6.15,;20.72,-6.26,;21.58,-4.98,;20.91,-3.6,;19.37,-3.49,;18.51,-4.77,;17.69,-6.59,;17.33,-8.07,;16.6,-5.5,)|
Structure:
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