Reaction Details Report a problem with these data
Target
Neurotensin receptor type 2
Ligand
BDBM50019411
Substrate
n/a
Meas. Tech.
ChEMBL_1364517 (CHEMBL3295314)
Ki
170±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:
BDBM50019411
Synonyms:
CHEMBL3290095
Type:
Small organic molecule
Emp. Form.:
C29H29ClN4O5
Mol. Mass.:
549.017
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCCC1)C(O)=O |(20.7,-18.03,;21.17,-16.57,;22.68,-16.25,;23.71,-17.39,;25.22,-17.07,;25.69,-15.61,;24.66,-14.46,;25.14,-13,;26.64,-12.68,;23.16,-14.78,;21.82,-13.29,;22.14,-11.79,;20.8,-11.02,;19.66,-12.05,;20.28,-13.46,;19.28,-15.19,;20.05,-16.52,;19.28,-17.86,;17.74,-17.86,;16.97,-16.52,;15.43,-16.52,;14.66,-15.19,;13.12,-15.19,;15.43,-13.86,;16.97,-13.86,;17.74,-15.19,;20.64,-9.49,;21.89,-8.58,;19.23,-8.86,;19.05,-7.34,;20.61,-7.52,;21.7,-6.43,;21.54,-4.9,;20.24,-4.07,;18.78,-4.57,;18.28,-6.01,;17.62,-7.83,;16.42,-6.86,;17.32,-9.34,)|
Structure:
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