Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50063285
Substrate
n/a
Meas. Tech.
ChEMBL_1451 (CHEMBL616575)
Ki
13±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:
BDBM50063285
Synonyms:
CHEMBL165056 | Pyrimidin-2-yl-(4-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-amine
Type:
Small organic molecule
Emp. Form.:
C23H30F3N5
Mol. Mass.:
433.513
SMILES:
FC(F)(F)c1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:19.23,wD:16.16,(20.01,-4.08,;18.46,-4.18,;17.62,-2.89,;19.63,-5.21,;17.78,-5.56,;18.62,-6.85,;17.92,-8.23,;16.4,-8.3,;15.56,-7.01,;16.24,-5.65,;14.01,-7.1,;13.33,-8.48,;11.79,-8.55,;10.94,-7.27,;9.4,-7.34,;8.55,-6.05,;7.01,-6.12,;6.17,-4.83,;4.64,-4.9,;3.92,-6.28,;4.76,-7.57,;6.31,-7.5,;2.37,-6.35,;1.53,-5.04,;.01,-5.14,;-.84,-3.82,;-.13,-2.44,;1.41,-2.37,;2.26,-3.68,;11.65,-5.89,;13.17,-5.82,)|
Structure:
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