Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A/1B/1D/1F
Ligand
BDBM50001885
Substrate
n/a
Meas. Tech.
ChEMBL_800 (CHEMBL615404)
Ki
339±n/a nM
Citation
 Scott, MK; Martin, GE; DiStefano, DL; Fedde, CL; Kukla, MJ; Barrett, DL; Baldy, WJ; Elgin, RJ; Kesslick, JM; Mathiasen, JR Pyrrole mannich bases as potential antipsychotic agents. J Med Chem 35:552-8 (1992) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1A/1B/1D/1F
Synonyms:
Serotonin 1 (5-HT1) receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 193825
Components:
This complex has 4 components.
Component 1
Name:
5-hydroxytryptamine receptor 1D
Synonyms:
5-HT-1D | 5-HT1D | 5-hydroxytryptamine receptor 1D | 5HT1D_RAT | Htr1d | Serotonin 1 (5-HT1) receptor | Serotonin 1B/1D receptor | Serotonin receptor 1D
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41551.75
Organism:
RAT
Description:
5-HT1D HTR1D RAT::P28565
Residue:
374
Sequence:
MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS
  
Component 2
Name:
5-hydroxytryptamine receptor 1A
Synonyms:
5-HT-1A | 5-HT1 | 5-HT1A | 5-Hydroxytryptamine receptor 1A (5-HT1A) | 5-hydroxytryptamine receptor 1A (5HT1A) | 5HT1A_RAT | 5ht1a | G-21 | Htr1a | Serotonin 1 (5-HT1) receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | Serotonin receptor 1A
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46445.29
Organism:
Rattus norvegicus (rat)
Description:
Binding assays were performed using rat hippocampal membranes.
Residue:
422
Sequence:
MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
  
Component 3
Name:
5-hydroxytryptamine receptor 1B
Synonyms:
5-HT-1B | 5-HT1B | 5-hydroxytryptamine receptor 1B (5HT1B) | 5HT1B_RAT | 5ht1b | Htr1b | Serotonin 1 (5-HT1) receptor | Serotonin 1B/1D receptor | Serotonin receptor 1B
Type:
Protein
Mol. Mass.:
43173.33
Organism:
Rattus norvegicus (Rat)
Description:
P28564
Residue:
386
Sequence:
MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
  
Component 4
Name:
5-hydroxytryptamine receptor 1F
Synonyms:
5-HT-1F | 5-HT1F | 5-hydroxytryptamine receptor 1F | 5HT1F_RAT | 5ht1f | Htr1f | Serotonin 1 (5-HT1) receptor | Serotonin 1f (5-HT1f) receptor | Serotonin receptor 1F
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41896.93
Organism:
RAT
Description:
5-HT1F HTR1F RAT::P30940
Residue:
366
Sequence:
MDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINCLVITAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQGLCDLWLSVDIICCTCSILHLSAIALDRYRAITDAVEYARKRTPRHAGITITTVWVISVFISVPPLFWRHQGNSRDDQCIIKHDHIVSTIYSTFGAFYIPLVLILILYYKIYRAARTLYHKRQASRMIKEELNGQVLLESGEKSIKLVSTSYMLEKSLSDPSTDFDRIHSTVKSPRSELKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNICEKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRN
  
Inhibitor
Name:
BDBM50001885
Synonyms:
(risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one | 1-(2-Allyl-phenoxy)-3-isopropylamino-propan-2-ol | 2-(2-(4-(benzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-7,8,9,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidin-4(6H)-one | 2-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-6,7,8,8a-tetrahydro-5H-naphthalen-1-one | 3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one | 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one (Resperidone) | 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one (risperidone) | 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one(risperidone) | 5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-methyl-1,3-dihydro-indol-2-one(Norastemizole) | CHEMBL85 | R 64 766 | RISPERDAL | RISPERIDONE | US10167256, Risperidone | US10174011, risperidone | US10259786, Risperidone | US10501452, Compound risperidone | US8802672, Risperidone | WO2023288027, Cmpd Risperidone
Type:
Small organic molecule
Emp. Form.:
C23H27FN4O2
Mol. Mass.:
410.4845
SMILES:
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Structure:
Search PDB for entries with ligand similarity: