Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252180
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
58.1±n/a nM
Citation
 Zhou, D; Zhou, P; Evrard, DA; Meagher, K; Webb, M; Harrison, BL; Huryn, DM; Golembieski, J; Hornby, GA; Schechter, LE; Smith, DL; Andree, TH; Mewshaw, RE Studies toward the discovery of the next generation of antidepressants. Part 6: Dual 5-HT1A receptor and serotonin transporter affinity within a class of arylpiperazinyl-cyclohexyl indole derivatives. Bioorg Med Chem 16:6707-23 (2008) [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:
BDBM50252180
Synonyms:
3-[(1,4-cis)-4-(4-Quinolin-5-yl-piperazin-1-yl)-cyclohexyl]-1H-indole-5-carbonitrile | CHEMBL480932
Type:
Small organic molecule
Emp. Form.:
C28H29N5
Mol. Mass.:
435.5634
SMILES:
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:9.8,12.15,(-1.16,-24.06,;-.75,-25.56,;-.44,-27.07,;1.03,-27.57,;1.33,-29.08,;.17,-30.09,;.16,-31.62,;-1.31,-32.08,;-2.2,-30.84,;-3.74,-30.82,;-4.5,-29.48,;-6.05,-29.46,;-6.82,-30.79,;-6.06,-32.13,;-4.53,-32.15,;-8.36,-30.78,;-9.14,-32.11,;-10.68,-32.1,;-11.44,-30.76,;-10.66,-29.43,;-9.12,-29.43,;-12.98,-30.75,;-13.75,-32.09,;-15.3,-32.08,;-16.07,-30.74,;-15.27,-29.41,;-16.04,-28.08,;-15.27,-26.76,;-13.73,-26.77,;-12.98,-28.1,;-13.74,-29.42,;-1.29,-29.59,;-1.59,-28.09,)|
Structure:
Search PDB for entries with ligand similarity: