Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target5-hydroxytryptamine receptor 1A
LigandBDBM50516864
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1867020 (CHEMBL4367995)
Ki 47±n/a nM
Citation ?lifirski, GKról, MKleps, JPodsadni, PBelka, MB?czek, TSiwek, AStachowicz, KSzewczyk, BNowak, GBojarski, AKozio?, AETur?o, JHerold, F Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT Eur J Med Chem180:383-397 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
5-hydroxytryptamine receptor 1A
Name:5-hydroxytryptamine receptor 1A
Synonyms:5-HT-1A | 5-HT1A | 5-hydroxytryptamine receptor 1A (5-HT-1A) | 5HT1A_HUMAN | ADRB2RL1 | ADRBRL1 | Dopamine D2 receptor and serotonin 1a receptor | G-21 | HTR1A | Serotonin receptor 1A
Type:n/a
Mol. Mass.:46122.49
Organism:Homo sapiens (Human)
Description:n/a
Residue:422
Sequence:
MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAA
IALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCC
TSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPED
RSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADT
RHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGN
SKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLP
FFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFC
RQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50516864
n/a
NameBDBM50516864
Synonyms:CHEMBL4442394
TypeSmall organic molecule
Emp. Form.C31H34ClFN4O2
Mol. Mass.549.079
SMILESFc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(66.44,-55.06,;64.93,-55.37,;64.45,-56.83,;62.94,-57.13,;61.92,-55.98,;60.39,-55.97,;59.93,-54.5,;61.18,-53.61,;61.19,-52.07,;62.53,-51.31,;62.55,-49.77,;61.22,-48.98,;59.89,-49.74,;58.56,-48.96,;57.22,-49.73,;55.89,-48.95,;54.55,-49.71,;53.23,-48.93,;53.23,-47.39,;54.57,-46.63,;51.9,-46.61,;50.57,-47.38,;49.24,-46.61,;47.91,-47.38,;47.91,-48.92,;49.24,-49.69,;50.56,-48.92,;51.89,-49.69,;51.88,-51.23,;51.91,-45.08,;50.58,-44.31,;50.58,-42.78,;51.92,-42,;53.25,-42.78,;53.24,-44.31,;54.58,-45.09,;59.87,-51.29,;62.42,-54.52,;63.92,-54.22,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: