Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50063278
Substrate
n/a
Meas. Tech.
ChEMBL_1451 (CHEMBL616575)
Ki
44±n/a nM
Citation
 Wustrow, D; Belliotti, T; Glase, S; Kesten, SR; Johnson, D; Colbry, N; Rubin, R; Blackburn, A; Akunne, H; Corbin, A; Davis, MD; Georgic, L; Whetzel, S; Zoski, K; Heffner, T; Pugsley, T; Wise, L Aminopyrimidines with high affinity for both serotonin and dopamine receptors. J Med Chem 41:760-71 (1998) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1A
Synonyms:
5-HT-1A | 5-HT1 | 5-HT1A | 5-Hydroxytryptamine receptor 1A (5-HT1A) | 5-hydroxytryptamine receptor 1A (5HT1A) | 5HT1A_RAT | 5ht1a | G-21 | Htr1a | Serotonin 1 (5-HT1) receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | Serotonin receptor 1A
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46445.29
Organism:
Rattus norvegicus (rat)
Description:
Binding assays were performed using rat hippocampal membranes.
Residue:
422
Sequence:
MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
  
Inhibitor
Name:
BDBM50063278
Synonyms:
CHEMBL165440 | {4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-cyclohexyl}-pyrimidin-2-yl-amine
Type:
Small organic molecule
Emp. Form.:
C21H28N4
Mol. Mass.:
336.4738
SMILES:
C(CN1CCc2ccccc2C1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:15.20,wD:12.13,(10.31,-5.42,;11.15,-6.7,;12.69,-6.63,;13.39,-5.25,;14.9,-5.18,;15.74,-6.44,;17.26,-6.35,;18.12,-7.61,;17.47,-9.01,;15.93,-9.12,;15.07,-7.84,;13.53,-7.91,;8.77,-5.49,;7.93,-4.2,;6.42,-4.27,;5.7,-5.65,;6.53,-6.93,;8.07,-6.86,;4.16,-5.72,;3.32,-4.41,;4.04,-3.06,;3.2,-1.76,;1.66,-1.83,;.96,-3.2,;1.8,-4.51,)|
Structure:
Search PDB for entries with ligand similarity: