Reaction Details Report a problem with these data
Target
Neurotensin receptor type 1
Ligand
BDBM50019412
Substrate
n/a
Meas. Tech.
ChEMBL_1466612 (CHEMBL3407205)
Ki
177±n/a nM
Citation
 Thomas, JB; Giddings, AM; Olepu, S; Wiethe, RW; Warner, KR; Sarret, P; Longpre, JM; Runyon, SP; Gilmour, BP The amide linker in nonpeptide neurotensin receptor ligands plays a key role in calcium signaling at the neurotensin receptor type 2. Bioorg Med Chem Lett 25:2060-4 (2015) [PubMed]  Article 
Target
Name:
Neurotensin receptor type 1
Synonyms:
NTR1_RAT | Neurotensin receptor 1 | Ntsr | Ntsr1
Type:
PROTEIN
Mol. Mass.:
47070.64
Organism:
Rattus norvegicus
Description:
ChEMBL_1466612
Residue:
424
Sequence:
MHLNSSVPQGTPGEPDAQPFSGPQSEMEATFLALSLSNGSGNTSESDTAGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNRSGDGTHPGGLVCTPIVDTATVKVVIQVNTFMSFLFPMLVISILNTVIANKLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYVSSAINPILYNLVSANFRQVFLSTLACLCPGWRHRRKKRPTFSRKPNSMSSNHAFSTSATRETLY
  
Inhibitor
Name:
BDBM50019412
Synonyms:
CHEMBL3290096
Type:
Small organic molecule
Emp. Form.:
C28H27ClN4O5
Mol. Mass.:
534.991
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCC1)C(O)=O |(21.2,-17.42,;21.67,-15.96,;23.18,-15.64,;24.21,-16.78,;25.72,-16.46,;26.19,-15,;25.16,-13.85,;25.64,-12.39,;27.14,-12.07,;23.66,-14.17,;22.32,-12.69,;22.64,-11.18,;21.3,-10.41,;20.16,-11.44,;20.79,-12.85,;19.78,-14.58,;20.55,-15.92,;19.78,-17.25,;18.24,-17.25,;17.47,-15.92,;15.93,-15.92,;15.16,-14.58,;13.62,-14.58,;15.93,-13.25,;17.47,-13.25,;18.24,-14.58,;21.14,-8.88,;22.39,-7.97,;19.74,-8.25,;19.57,-6.72,;21.11,-6.83,;21.97,-5.55,;21.3,-4.17,;19.76,-4.06,;18.9,-5.34,;18.08,-7.16,;17,-6.07,;17.72,-8.64,)|
Structure:
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