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 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
DrugBank	N/A

Ligand

Name	tryptamine
Molecular formula	C10H12N2
IUPAC name	2-(1H-indol-3-yl)ethanamine
Molecular weight	160.22
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.6
Synonyms	Tryptamine, free base T0890 CHEMBL6640 EBD10651 .beta.-(3-Indolyl)ethylamine HMS1922K18 2-(1H-Indol-3-yl)ethanamine Indole, 3-(2-aminoethyl)- 2-Indol-3-ylethylamine KBioSS_000393 343-94-2 (mono-hydrochloride) MFCD00005661 AB1001199 NCGC00014994-06 AE-848/30735051 Oprea1_870097 AZ0001-0257 SDCCGMLS-0066798.P001 BRD-K44218819-001-05-1 Spectrum_000033 triptamine UNII-422ZU9N5TV ST2409261 D08CJK F2169-0960 1H-Indole-3-ethanamine HTS028111 2-(3-Indolyl)ethylamine KBio2_000393 3-(beta-aminoethyl)-indole Lopac-246557 5-22-10-00045 (Beilstein Handbook Reference) NCGC00014994-01 ACMC-209mtp NCGC00095081-02 ALBB-017957 RTC-066345 BDBM50024210 SPECTRUM1503922 C00398 Tryptamine, 98% ZINC120144 T-8095 DivK1c_000862 (Amino-2 ethyl)-3 indole [French] FT-0613523 2-(1H-INDOL-3-YL)-ETHYLAMINE InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H 2-Indol-3-yl-aethylamin KBio3_002903 3-indolylethylamine M-3012 61-54-1 NCGC00014994-04 ACN-F000556 NCGC00095081-05 ANW-33851 SCHEMBL13006684 BP-12561 Spectrum4_000850 CHEBI:16765 Tryptamine, Vetec(TM) reagent grade, 98% TC-066345 CS-D1750 EC 200-510-5 005T661 HMS2267B18 2-(1H-Indol-3-yl)ethanamine # KB-81364 3-(2-amino)ethyl indole KSC354A2B 34685-69-3 (unspecified sulfate) MLS000515794 AC1L1AU8 NCGC00014994-07 AJ-11665 PubChem9450 BBL015353 SMR000112268 BRN 0125513 SR-01000075589 Tryptamin V2315 ST50308344 DB-005731 (3-Indolyl)ethylamine FS-3317 2-(1h-indol-3-yl) ethylamine HY-B2132 2-(3-Indolyl)ethylamine; 3-(2-Aminoethyl)indole KBio2_002961 3-Indoleethanamine Lopac0_000061 NCGC00014994-02 ACN-000556 NCGC00095081-03 AM807158 SBB003963 beta-(3-Indolyl)ethylamine Spectrum2_000873 CCG-40088 Tryptamine, analytical standard [2-(1h-indol-3-yl)ethyl]amine T-8100 DTXSID2075340 GTPL125 2-(1H-Indol-3-Yl)Ethan-1-Amine Indol-3-ethylamine 2-indol-3-yl-ethylamine KBioGR_001459 3-[2-Aminoethyl]indole MCULE-6402431765 AB0007015 NCGC00014994-05 ACT09907 NINDS_000862 APJYDQYYACXCRM-UHFFFAOYSA-N SCHEMBL26725 BR-80344 Spectrum5_001296 TRA0076983 tryptaminium CTK2F4020 EINECS 200-510-5 HMS502L04 2-(1H-indol-3-yl)ethylamine KBio1_000862 3-(2-aminoethyl)indole L000946 422ZU9N5TV MolPort-001-002-280 AC1Q54C3 NCGC00095081-01 AKOS000119468 RP22361 BCP21605 SPBio_000945 BSPBio_003400 SR-01000075589-5 VI30132 STK262895 DB08653 (Amino-2 ethyl)-3 indole FT-0081340 2-(1H-indol-3-yl)-ethyl-amine IDI1_000862 2-(Indol-3-yl)ethylamine KBio2_005529 3-Indoleethylamine LS-82268 5E7B376B-5933-446C-9D88-661B5F480122 NCGC00014994-03 ACN-036699 NCGC00095081-04 AN-41829 SC-05762 bmse000207 Spectrum3_001890 CCRIS 8959 [ Show all ]
Inchi Key	APJYDQYYACXCRM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
PubChem CID	1150
ChEMBL	CHEMBL6640
IUPHAR	125
BindingDB	50024210
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	10200.0 nM	PMID3543362	BindingDB,ChEMBL

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