Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50211191
Substrate
n/a
Meas. Tech.
ChEMBL_1636028 (CHEMBL3878926)
IC50
>100000±n/a nM
Citation
Cook, J; Zusi, FC; McDonald, IM; King, D; Hill, MD; Iwuagwu, C; Mate, RA; Fang, H; Zhao, R; Wang, B; Cutrone, J; Ma, B; Gao, Q; Knox, RJ; Matchett, M; Gallagher, L; Ferrante, M; Post-Munson, D; Molski, T; Easton, A; Miller, R; Jones, K; Digavalli, S; Healy, F; Lentz, K; Benitex, Y; Clarke, W; Natale, J; Siuciak, JA; Lodge, N; Zaczek, R; Denton, R; Morgan, D; Bristow, LJ; Macor, JE; Olson, RE Design and Synthesis of a New Series of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 Nicotinic Receptor Agonists. 1. Development of Pharmacophore and Early Structure-Activity Relationship. J Med Chem 59:11171-11181 (2016) [PubMed] Article
More Info.:
Target
Name:
5-hydroxytryptamine receptor 3A
Synonyms:
5-HT-3 | 5-HT3 | 5-HT3A | 5-HT3R | 5-hydroxytryptamine receptor 3 (5-HT3) | 5-hydroxytryptamine receptor 3A (5-HT3a) | 5-hydroxytryptamine receptor 3A (5HT3A) | 5HT3A_HUMAN | 5HT3R | HTR3 | HTR3A | Serotonin 3 (5-HT3) receptor | Serotonin 3 receptor (5HT3) | Serotonin receptor 3A | Serotonin-gated ion channel receptor | Serotonin-gated ion channel receptor 3
Type:
Protein
Mol. Mass.:
55283.27
Organism:
Homo sapiens (Human)
Description:
P46098
Residue:
478
Sequence:
MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA
Inhibitor
Name:
BDBM50211191
Synonyms:
CHEMBL3959798
Type:
Small organic molecule
Emp. Form.:
C18H22N4O2S
Mol. Mass.:
358.458
SMILES:
COc1ccc2nc(\N=C3\OC4(CN3C)CN3CCC4CC3)sc2c1 |THB:10:11:17.18:21.20,(18.25,-13.3,;16.76,-12.91,;15.67,-14,;16.07,-15.49,;14.99,-16.58,;13.51,-16.18,;12.23,-17.02,;11.02,-16.06,;9.53,-16.46,;9.14,-17.95,;7.7,-18.5,;7.79,-20.04,;9.28,-20.44,;10.11,-19.14,;11.65,-19.06,;8.09,-21.56,;6.6,-20.87,;4.93,-21.59,;4.72,-20.09,;6.32,-19.39,;6.4,-17.61,;6.87,-18.82,;11.58,-14.62,;13.11,-14.69,;14.19,-13.61,)|