Reaction Details Report a problem with these data
Target
Neurotensin receptor type 2
Ligand
BDBM50019413
Substrate
n/a
Meas. Tech.
ChEMBL_1364517 (CHEMBL3295314)
Ki
102±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:
BDBM50019413
Synonyms:
CHEMBL3290097
Type:
Small organic molecule
Emp. Form.:
C27H25ClN4O5
Mol. Mass.:
520.964
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCC1)C(O)=O |(21.16,-18.01,;21.64,-16.55,;23.14,-16.23,;24.17,-17.37,;25.68,-17.05,;26.15,-15.59,;25.12,-14.44,;25.6,-12.98,;27.11,-12.66,;23.62,-14.76,;22.28,-13.28,;22.6,-11.77,;21.26,-11,;20.12,-12.03,;20.75,-13.44,;19.75,-15.17,;20.52,-16.5,;19.75,-17.84,;18.21,-17.84,;17.44,-16.5,;15.9,-16.5,;15.13,-15.17,;13.59,-15.17,;15.9,-13.84,;17.44,-13.84,;18.21,-15.17,;21.1,-9.47,;22.35,-8.56,;19.7,-8.84,;19.54,-7.31,;21.08,-7.31,;21.55,-5.85,;20.31,-4.94,;19.06,-5.85,;18.03,-7.63,;17,-6.49,;17.55,-9.09,)|
Structure:
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