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Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252221
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
43.9±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:
BDBM50252221
Synonyms:
3-[(1,4-cis)-4-(4-Quinolin-8-yl-piperazin-1-yl)-cyclohexyl]-1H-indole-5-carbonitrile | CHEMBL481754
Type:
Small organic molecule
Emp. Form.:
C28H29N5
Mol. Mass.:
435.5634
SMILES:
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:9.8,12.15,(14.01,-32.59,;14.42,-34.09,;14.73,-35.6,;16.19,-36.09,;16.49,-37.6,;15.34,-38.61,;15.33,-40.15,;13.85,-40.61,;12.96,-39.36,;11.42,-39.34,;10.66,-38,;9.12,-37.98,;8.35,-39.31,;9.1,-40.66,;10.64,-40.67,;6.81,-39.3,;6.03,-40.63,;4.49,-40.62,;3.73,-39.29,;4.51,-37.96,;6.04,-37.96,;2.19,-39.28,;1.42,-40.61,;-.12,-40.61,;-.89,-39.26,;-.11,-37.93,;-.87,-36.61,;-.1,-35.28,;1.44,-35.29,;2.2,-36.62,;1.43,-37.95,;13.88,-38.12,;13.58,-36.61,)|
Structure:
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