Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2C
Ligand
BDBM50319428
Substrate
n/a
Meas. Tech.
ChEMBL_634057 (CHEMBL1118329)
Ki
8600±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
More Info.:
Target
Name:
5-hydroxytryptamine receptor 2C
Synonyms:
5-HT-2C | 5-HT2C | 5-HT2C-INI | 5-HT2c VGI | 5-HTR2C | 5-hydroxytryptamine receptor 1C | 5-hydroxytryptamine receptor 2C (5-HT-2C) | 5-hydroxytryptamine receptor 2C (5HT-2C) | 5HT-1C | 5HT2C_HUMAN | HTR1C | HTR2C | Serotonin (5-HT3) receptor | Serotonin 2c (5-HT2c) receptor | Serotonin Receptor 2C
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
51836.79
Organism:
Homo sapiens (Human)
Description:
P28335
Residue:
458
Sequence:
MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
Inhibitor
Name:
BDBM50319428
Synonyms:
CHEMBL1085628 | N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(4-chloro-1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
Type:
Small organic molecule
Emp. Form.:
C25H27ClFN5O3
Mol. Mass.:
499.965
SMILES:
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Cl)cnn2C)CC1 |(-8.55,-30.04,;-9.88,-30.81,;-11.22,-30.03,;-9.89,-32.35,;-8.56,-33.12,;-8.56,-34.66,;-9.9,-35.43,;-9.9,-36.97,;-8.56,-37.74,;-8.56,-39.28,;-7.23,-40.05,;-5.9,-39.28,;-4.56,-40.04,;-4.56,-41.59,;-3.22,-42.36,;-1.89,-41.59,;-1.89,-40.05,;-.56,-42.36,;-.56,-43.89,;.77,-44.66,;2.1,-43.89,;2.1,-42.34,;3.43,-41.56,;.76,-41.58,;-5.9,-42.36,;-7.23,-41.59,;-8.56,-42.36,;-8.72,-43.89,;-7.57,-44.91,;-10.23,-44.21,;-11,-42.88,;-9.97,-41.73,;-10.28,-40.22,;-11.25,-34.66,;-11.24,-33.12,)|