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	CHEMBL80189
Molecular formula	C18H19N5
IUPAC name	2-(5-imidazo[4,5-b]pyridin-3-yl-1H-indol-3-yl)-N,N-dimethylethanamine
Molecular weight	305.385
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.8
Synonyms	BDBM50285523 L013627 [2-(5-Imidazo[4,5-b]pyridin-3-yl-1H-indol-3-yl)-ethyl]-dimethyl-amine
Inchi Key	SZSNAHWJFCIUBV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3
PubChem CID	11722647
ChEMBL	CHEMBL80189
IUPHAR	N/A
BindingDB	50285523
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
327188	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
327189	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
327187	5-hydroxytryptamine receptor 1D	Q60484	HTR1D	Cavia porcellus (Guinea pig)	376
327190	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377

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