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	Rattus norvegicus (Rat)
Gene	Htr7
Synonym	GPRFO 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled 5-HTx 5-HT7 receptor 5-HT7 5-HT1Y 5-HT-X 5-HT-7 Serotonin receptor 7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	448
Amino acid sequence	MMDVNSSGRPDLYGHLRSLILPEVGRGLQDLSPDGGAHPVVSSWMPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT
UniProt	P32305
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	CHEMBL3223
IUPHAR	12
DrugBank	N/A

Ligand

Name	Ergoatetrine
Molecular formula	C19H23N3O2
IUPAC name	N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	325.412
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-.alpha.-carboxamide BRD-A73581086-001-01-3 Ergoline-8-.beta.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- NCGC00163165-01 9-(2-Hydroxy-1-methylethylcarbamoyl)-4,6,6a,7,8,9-hexahydro-7-methylindolo[4,3-fg]quinoline Cornocentin (Salt/Mix) Ermetrine (Salt/Mix) PDSP1_001743 Biomol-NT_000067 N-(1-(Hydroxymethyl)ethyl)-D-lysergomide 9,10-Didehydro-N-(.alpha.-(hydroxymethyl)ethyl)-6-methylergoline-8-.beta.-carboxamide CHEBI:91849 Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8.beta.(S)]- NSC_104873 AC1L1FIH Crude ergot (Salt/Mix) L000683 PDSP2_001726 BPBio1_001359 Ergoline-8-.alpha.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- N-(2-Hydroxy-1-methylethyl)-6-methyl-9,10-didehydroergoline-8.beta.(S)-carboxamide # 9,10-Didehydro-N-[(S)-2-hydroxy-1-methylethyl]-6-methylergoline-8.beta.-carboxamide CHEMBL1368134 Ergotrate (Salt/Mix) Oprea1_121118 BDBM81446 D-Lysergic acid-L,2-propanolamide N-(.alpha.-(Hydroxymethyl)ethyl)-D-lysergomide WVVSZNPYNCNODU-UHFFFAOYSA-N [ Show all ]
Inchi Key	WVVSZNPYNCNODU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
PubChem CID	3250
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81446
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	1350.0 nM	PMID7724	BindingDB
Ki	1850.0 nM	PMID7724	BindingDB

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