Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50555884
Substrate
n/a
Meas. Tech.
ChEMBL_2053968 (CHEMBL4708969)
EC50
0.510000±n/a nM
Citation
 Tan, X; Jiang, X; He, Y; Zhong, F; Li, X; Xiong, Z; Li, Z; Liu, X; Cui, C; Zhao, Q; Xie, Y; Yang, F; Wu, C; Shen, J; Zheng, M; Wang, Z; Jiang, H Automated design and optimization of multitarget schizophrenia drug candidates by deep learning. Eur J Med Chem 204:0 (2020) [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:
Homo sapiens (Human)
Description:
n/a
Residue:
422
Sequence:
MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
  
Inhibitor
Name:
BDBM50555884
Synonyms:
CHEMBL4741908
Type:
Small organic molecule
Emp. Form.:
C24H27N3O2S
Mol. Mass.:
421.555
SMILES:
O=C1COc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12
Structure:
Search PDB for entries with ligand similarity: