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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	PubChem16189 2,3,4,9-Tetrahydro-1H-\|A-carboline Spectrum2_001379 9H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro- 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 SBB048967 502T015 Spectrum5_000396 AC-17176 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- 2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole SPBio_001338 8380AA SR-01000000048-4 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 QC-4504 4CH-021287 Spectrum3_001413 A3668 STK501720 AKOS004119465 TRA0023692 BSPBio_003086 CTK8B6239 FT-0637372 KBio2_001055 MFCD00004954 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole NCGC00018148-02 2,3,4,9-Tetrahydro-1H-beta-carbolin SCHEMBL171755 58911-02-7 (mono-hydrochloride) Spectrum_000575 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-Pyrido[3,4-b]indole SpecPlus_000545 9H-1,2,3,4-Tetrahydropyrido(3,4-b)indole ST24038469 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 SAM001246862 Spectrum4_001858 AB0072711 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 2,3,4,9-tetrahydro-1H-beta-carboline SMR000059115 65027TMI0H SR-01000000048 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 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
40968	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
40965	5-hydroxytryptamine receptor 2B	P30994	Htr2b	Rattus norvegicus (Rat)	479
40964	5-hydroxytryptamine receptor 2C	P08909	Htr2c	Rattus norvegicus (Rat)	460
40966	5-hydroxytryptamine receptor 5A	P30966	Htr5a	Mus musculus (Mouse)	357
40969	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
40967	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440

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