Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 7
Ligand
BDBM50375932
Substrate
n/a
Meas. Tech.
ChEMBL_521562 (CHEMBL1000710)
IC50
28.97±n/a nM
Citation
 Jalali-Heravi, M; Asadollahi-Baboli, M Quantitative structure-activity relationship study of serotonin (5-HT7) receptor inhibitors using modified ant colony algorithm and adaptive neuro-fuzzy interference system (ANFIS). Eur J Med Chem 44:1463-70 (2009) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 7
Synonyms:
5-HT-7 | 5-HT-X | 5-HT7 | 5-HT7L | 5-HT7S | 5-HT7b | 5HT7 | 5HT7R_HUMAN | HTR7 | Serotonin receptor 7
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
53573.08
Organism:
Homo sapiens (Human)
Description:
P34969
Residue:
479
Sequence:
MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
  
Inhibitor
Name:
BDBM50375932
Synonyms:
CHEMBL408717
Type:
Small organic molecule
Emp. Form.:
C32H37N5O4
Mol. Mass.:
555.6673
SMILES:
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1 |(2.64,-15.65,;3.34,-15.21,;4.07,-15.61,;4.77,-15.18,;5.5,-15.57,;6.2,-15.14,;6.17,-14.31,;5.45,-13.92,;4.75,-14.35,;4.02,-13.96,;3.32,-14.39,;2.6,-14,;2.58,-13.18,;1.86,-12.77,;1.15,-13.18,;.43,-12.77,;-.28,-13.18,;-.28,-14.01,;-1,-12.77,;-1.71,-13.19,;-2.43,-12.78,;-3.15,-13.19,;-3.87,-12.78,;-4.58,-13.19,;-5.3,-12.78,;-5.3,-11.95,;-4.59,-11.54,;-3.87,-11.95,;-3.15,-11.53,;-3.16,-10.7,;-2.43,-11.94,;-1.72,-11.53,;-1,-11.94,;-.29,-11.53,;-.29,-10.7,;-1.01,-10.29,;-1.72,-10.71,;-2.44,-10.3,;-2.44,-9.48,;3.27,-12.74,;4,-13.14,)|
Structure:
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