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 7
Species	Homo sapiens (Human)
Gene	HTR7
Synonym	5-HT-7 Serotonin receptor 7 5-HT-X 5-HT1Y 5-HT7 GPRFO 5-HT7 receptor 5-HTx 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled [ Show all ]
Disease	Sleep disorders Schizophrenia Major depressive disorder
Length	479
Amino acid sequence	MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
UniProt	P34969
Protein Data Bank	N/A
GPCR-HGmod model	P34969
3D structure model	This predicted structure model is from GPCR-EXP P34969.
BioLiP	N/A
Therapeutic Target Database	T79062
ChEMBL	CHEMBL3155
IUPHAR	12
DrugBank	BE0000650, BE0004862

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	2-Bromo-9,10-didehydro-N,N-diethyl-6-methylergoline-8-beta-carboxamide Bromlysergamide D00VRV UNII-JUA77QEU32 AC1Q279X BROMOLYSERGIDE GTPL272 ZINC13531276 2-Br-LSD 478-84-2 BOL-148 D-2-Brom-diethylamide of lysergic acid LSD,2-Bromo 2-Bromo-D-lysergic acid diethylamide 9,10-Didehydro-N,N-diethyl-2-bromo-6-methylergoline-8-beta-carboxamide Bromo-LSD Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl- USAF SZ-1 (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 JUA77QEU32 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 Brom LSD D-2-Bromolysergic acid diethylamide SCHEMBL1883414 2-Bromo-LSD AC1L1UNB Bromolysergic acid diethylamide Ergoline-8-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-, (8beta)- VKRAXSZEDRWLAG-SJKOYZFVSA-N (6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide BOL CHEMBL274384 LS-64332 [ 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	10.0 nM	PMID14667218	ChEMBL
Ki	30.0 nM	PMID8226867, PMID12825922	BindingDB,ChEMBL
Ki	30.19 nM	PMID7984267	BindingDB
Ki	31.6228 nM	PMID8226867	IUPHAR

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