Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50526030
Substrate
n/a
Meas. Tech.
ChEMBL_1898945 (CHEMBL4401060)
Ki
53±n/a nM
Citation
 ?lifirski, G; Król, M; Kleps, J; Ulenberg, S; Belka, M; B?czek, T; Siwek, A; Stachowicz, K; Szewczyk, B; Nowak, G; Bojarski, A; Kozio?, AE; Tur?o, J; Herold, F Synthesis of novel pyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT Eur J Med Chem 166:144-158 (2019) [PubMed]  Article
Target
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:
Human
Description:
n/a
Residue:
422
Sequence:
MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
  
Inhibitor
Name:
BDBM50526030
Synonyms:
CHEMBL4576769
Type:
Small organic molecule
Emp. Form.:
C31H31FN4O2
Mol. Mass.:
510.6018
SMILES:
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(9.7,-33.63,;8.37,-32.85,;8.37,-31.31,;7.04,-30.54,;5.7,-31.31,;5.7,-32.85,;7.03,-33.61,;7.02,-35.15,;5.69,-35.92,;4.36,-35.14,;3.03,-35.92,;3.03,-37.46,;4.36,-38.22,;5.69,-37.46,;7.01,-38.23,;7,-39.77,;8.35,-37.47,;9.68,-38.25,;11.01,-37.49,;12.34,-38.26,;13.68,-37.5,;15.01,-38.28,;16.34,-37.51,;17.67,-38.3,;17.65,-39.84,;16.31,-40.59,;14.99,-39.82,;16.3,-42.13,;15.05,-43.03,;15.51,-44.5,;17.04,-44.51,;18.06,-45.66,;19.57,-45.36,;20.06,-43.89,;19.04,-42.74,;17.54,-43.05,;8.35,-35.93,;9.69,-35.17,)|
Structure:
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