Reaction Details Report a problem with these data
Target
Neurotensin receptor type 2
Ligand
BDBM50019415
Substrate
n/a
Meas. Tech.
ChEMBL_1364517 (CHEMBL3295314)
Ki
536±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:
BDBM50019415
Synonyms:
CHEMBL3290099
Type:
Small organic molecule
Emp. Form.:
C30H31N3O5
Mol. Mass.:
513.5842
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1cccc2ccccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:28.31,(20.61,-17.24,;21.24,-15.83,;22.77,-15.67,;23.67,-16.91,;25.21,-16.75,;25.83,-15.35,;24.93,-14.1,;25.55,-12.69,;27.08,-12.53,;23.4,-14.26,;22.22,-12.64,;22.69,-11.18,;21.45,-10.27,;20.2,-11.18,;20.68,-12.64,;19.5,-14.26,;20.13,-15.67,;19.22,-16.91,;17.69,-16.75,;17.06,-15.35,;15.53,-15.19,;14.91,-13.78,;15.81,-12.53,;17.34,-12.69,;17.97,-14.1,;21.45,-8.73,;22.78,-7.96,;20.11,-7.96,;20.11,-6.42,;18.78,-5.65,;17.45,-6.42,;16.11,-5.65,;16.11,-4.11,;17.45,-3.34,;18.78,-4.11,;21.45,-5.65,;22.78,-6.42,;21.45,-4.11,)|
Structure:
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