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	16502-01-5
Molecular formula	C11H12N2
IUPAC name	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Molecular weight	172.231
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.5
Synonyms	ACN-000557 Tetrahydronorharman BC211315 CHEMBL269236 DTXSID10167835 InChI=1/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H KBioSS_001055 1,2,3,4-Tetrahydro-9H-pyrido [3,4-b]indole N-8590 1,2,3,4-tetrahydronorharmane Opera_ID_234 2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole SPBio_001338 8380AA SR-01000000048-4 STK501720 AKOS004119465 TRA0023692 BSPBio_003086 CTK8B6239 FT-0637372 KBio2_001055 MFCD00004954 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole NCGC00018148-02 QC-4504 4CH-021287 Spectrum3_001413 A3668 AC1L32U9 Tetrahydro-beta-carboline BB 0260537 UNII-65027TMI0H CHEBI:92568 DivK1c_006641 HMS3370D07 KBio3_002306 1,2,3,4-tetrahydro-1H-pyrido[3,4-b]indole MLS001424178 1,2,3,4-Tetrahydro-\|A-carboline NCGC00023426-03 2,3,4,9-Tetrahydro-1H-beta-carbolin SCHEMBL171755 58911-02-7 (mono-hydrochloride) Spectrum_000575 AJ-73372 Tetrahydronorharmane BDBM50130262 CPD000059115 F2113-0962 KB-09915 KS-00000GA0 1,2,3,4-tetrahydro-9H-pyrido(3,4-B)indole NC00329 1,2,3,4-tetrahydropyrido[3,4-b]indole Oprea1_032098 2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole SpecPlus_000545 9H-1,2,3,4-Tetrahydropyrido(3,4-b)indole ST24038469 TC-010568 ALBB-007680 Triptoline CCG-38855 D03LPH HMS2052A05 KBio2_003623 MLS000069483 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole, 98% NCGC00018148-03 1H,2H,3H,4H,9H-Pyrido[3,4-B]Indole SAM001246862 Spectrum4_001858 AB0072711 AC1Q1H8A Tetrahydro-beta-carboline, 98% BBL027490 ZINC19418965 DS-16389 HMS3394A05 KBioGR_002297 1,2,3,4-Tetrahydro-9H-pyrido [3,4-b] indole MolPort-000-150-262 1,2,3,4-tetrahydrobeta-carboline Noreleagnine 2,3,4,9-tetrahydro-1H-beta-carboline SMR000059115 65027TMI0H SR-01000000048 ST50947377 AK-60388 THBC BIDD:GT0403 CS-B1035 FS000806 KBio1_001585 MCULE-6905321940 1,2,3,4-tetrahydro-9H-pyrido-[3,4-b]indole NCGC00018148-01 1,2,3,4Tetrahydro-9H-pyrido [3,4-b] indole PubChem16189 2,3,4,9-Tetrahydro-1H-\|A-carboline Spectrum2_001379 9H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro- tetrahydro beta-carboline ANW-53056 Tryptoline CFTOTSJVQRFXOF-UHFFFAOYSA-N DB-043608 HMS2235E21 KBio2_006191 1, 2, 3, 4-tetrahydro-9H-pyrido[3, 4-b]indole MLS001076332 1,2,3,4-Tetrahydro-beta-carboline NCGC00018148-04 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro- SBB048967 502T015 Spectrum5_000396 AC-17176 [ Show all ]
Inchi Key	CFTOTSJVQRFXOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
PubChem CID	107838
ChEMBL	CHEMBL269236
IUPHAR	N/A
BindingDB	50130262
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	2470.0 nM	PMID12825922	BindingDB,ChEMBL

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