Reaction Details Report a problem with these data
Target
Neurotensin receptor type 2
Ligand
BDBM82417
Substrate
n/a
Meas. Tech.
ChEMBL_1364517 (CHEMBL3295314)
Ki
644±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:
BDBM82417
Synonyms:
CHEMBL461604 | SR 48527
Type:
Small organic molecule
Emp. Form.:
C29H29ClN4O5
Mol. Mass.:
549.017
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |wD:29.32,(4.51,5.44,;5.54,4.29,;5.06,2.83,;3.56,2.51,;3.08,1.04,;4.11,-.1,;5.62,.22,;6.65,-.93,;6.17,-2.39,;6.09,1.68,;7.6,2,;8.08,.54,;9.62,.54,;10.09,2,;8.85,2.91,;8.85,4.45,;7.51,5.22,;7.51,6.76,;8.85,7.53,;10.18,6.76,;11.56,7.58,;12.95,6.79,;14.28,7.57,;12.95,5.19,;11.56,4.39,;10.18,5.22,;10.52,-.71,;12.05,-.55,;9.89,-2.11,;10.8,-3.36,;10.17,-4.77,;8.64,-4.93,;8.01,-6.34,;8.92,-7.58,;10.45,-7.42,;11.08,-6.01,;12.33,-3.2,;13.24,-4.45,;12.96,-1.79,)|
Structure:
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