Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50034352
Substrate
n/a
Meas. Tech.
ChEMBL_589 (CHEMBL615459)
Ki
36±n/a nM
Citation
 Jain, AN; Harris, NL; Park, JY Quantitative binding site model generation: compass applied to multiple chemotypes targeting the 5-HT1A receptor. J Med Chem 38:1295-308 (1995) [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:
BDBM50034352
Synonyms:
(3aS,9aR) 1-Propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indol-5-ol | (3aS,9aR)-1-Propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indol-5-ol | 1-Propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indol-5-ol | CHEMBL11066
Type:
Small organic molecule
Emp. Form.:
C15H21NO
Mol. Mass.:
231.3333
SMILES:
CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@@H]12
Structure:
Search PDB for entries with ligand similarity: