Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 5A
Species	Mus musculus (Mouse)
Gene	Htr5a
Synonym	MR22 Htr5 5HT5- 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled 5-HT5alpha 5-HT5A receptor 5-HT5A 5-HT-5A 5-HT-5 Serotonin receptor 5A [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MDLPVNLTSFSLSTPSSLEPNRSLDTEVLRPSRPFLSAFRVLVLTLLGFLAAATFTWNLLVLATILKVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRTRKRVSNVMILLTWALSTVISLAPLLFGWGETYSEPSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYRAAKFRMGSRKTNSVSPVPEAVEVKNATQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDVPAIWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProt	P30966
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3597
IUPHAR	10
DrugBank	N/A

Ligand

Name	2-Bromolysergic acid diethylamide
Molecular formula	C20H24BrN3O
IUPAC name	(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	402.336
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BROMOLYSERGIDE GTPL272 ZINC13531276 AC1Q279X BOL-148 D-2-Brom-diethylamide of lysergic acid LSD,2-Bromo 2-Br-LSD 478-84-2 Bromo-LSD Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl- USAF SZ-1 2-Bromo-D-lysergic acid diethylamide 9,10-Didehydro-N,N-diethyl-2-bromo-6-methylergoline-8-beta-carboxamide JUA77QEU32 (6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide 2-bromolysergic acid diethylamide, BOL-148 BDBM50130269 Brom LSD D-2-Bromolysergic acid diethylamide SCHEMBL1883414 2-Brom-D-lysergic acid diethylamine 5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide Bromolysergic acid diethylamide Ergoline-8-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-, (8beta)- VKRAXSZEDRWLAG-SJKOYZFVSA-N 2-Bromo-LSD AC1L1UNB CHEMBL274384 LS-64332 (6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide BOL Bromlysergamide D00VRV UNII-JUA77QEU32 2-Bromo-9,10-didehydro-N,N-diethyl-6-methylergoline-8-beta-carboxamide [ Show all ]
Inchi Key	VKRAXSZEDRWLAG-SJKOYZFVSA-N
Inchi ID	InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
PubChem CID	10171
ChEMBL	CHEMBL274384
IUPHAR	272
BindingDB	50130269
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.99 nM	PMID7984267, PMID1464308	BindingDB
Ki	2.0 nM	PMID12825922	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417