Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50034355
Substrate
n/a
Meas. Tech.
ChEMBL_589733 (CHEMBL1061237)
Kd
50.1±n/a nM
Citation
 Langham, JJ; Cleves, AE; Spitzer, R; Kirshner, D; Jain, AN Physical binding pocket induction for affinity prediction. J Med Chem 52:6107-25 (2009) [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:
BDBM50034355
Synonyms:
(3aR,9bS)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-ol | (3aR,9bS)3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-6-ol | CHEMBL285873
Type:
Small organic molecule
Emp. Form.:
C15H19NO
Mol. Mass.:
229.3175
SMILES:
Oc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
Structure:
Search PDB for entries with ligand similarity: