Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A
Ligand
BDBM50319425
Substrate
n/a
Meas. Tech.
ChEMBL_634056 (CHEMBL1118328)
Ki
5.3±n/a nM
Citation
 Xiong, Y; Teegarden, BR; Choi, JS; Strah-Pleynet, S; Decaire, M; Jayakumar, H; Dosa, PI; Casper, MD; Pham, L; Feichtinger, K; Ullman, B; Adams, J; Yuskin, D; Frazer, J; Morgan, M; Sadeque, A; Chen, W; Webb, RR; Connolly, DT; Semple, G; Al-Shamma, H Discovery and structure-activity relationship of 3-methoxy-N-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)benzamide (APD791): a highly selective 5-hydroxytryptamine2A receptor inverse agonist for the treatment of arterial thrombosis. J Med Chem 53:4412-21 (2010) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 2A
Synonyms:
5-HT-2 | 5-HT-2A | 5-HT2A | 5-hydroxytryptamine receptor 2A (5-HT-2A) | 5-hydroxytryptamine receptor 2A (5HT-2A) | 5-hydroxytryptamine receptor 2A (5HT2A) | 5HT2A_HUMAN | HTR2 | HTR2A | Serotonin receptor 2A
Type:
undefined
Mol. Mass.:
52607.65
Organism:
Homo sapiens (Human)
Description:
P28223
Residue:
471
Sequence:
MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
  
Inhibitor
Name:
BDBM50319425
Synonyms:
CHEMBL1084865 | N-{3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C24H23ClF3N5O3
Mol. Mass.:
521.919
SMILES:
Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCNC(=O)C1 |(-5.14,-22.2,;-4.83,-23.71,;-5.86,-24.85,;-5.09,-26.19,;-3.58,-25.86,;-2.43,-26.89,;-3.42,-24.34,;-2.09,-23.57,;-.75,-24.34,;.58,-23.57,;1.92,-24.34,;3.25,-23.57,;3.25,-22.03,;4.58,-24.33,;4.58,-25.87,;5.91,-26.64,;7.25,-25.87,;7.24,-24.32,;5.9,-23.56,;8.57,-23.54,;9.91,-24.3,;8.56,-22,;9.89,-22.76,;.58,-22.02,;-.76,-21.26,;-2.09,-22.03,;-3.42,-21.26,;-3.42,-19.72,;-4.76,-18.95,;-4.76,-17.41,;-3.42,-16.64,;-3.42,-15.1,;-4.75,-14.33,;-6.09,-15.09,;-7.42,-14.32,;-6.09,-16.64,)|
Structure:
Search PDB for entries with ligand similarity: