Zhang Lab

University of Michigan

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 ●DMFold ●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	CHEMBL17740
Molecular formula	C12H15N3
IUPAC name	N-benzyl-2-(1H-imidazol-5-yl)ethanamine
Molecular weight	201.273
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.3
Synonyms	AKOS022987924 N-benzyl-2-(1H-imidazol-5-yl)ethanamine benzylhistamine ZINC34349451 7728-61-2 GVOCXQUIZNWEMU-UHFFFAOYSA-N BDBM50419043 SCHEMBL14415974 1H-Imidazole-5-ethanamine, N-(phenylmethyl)- AKOS014319525 N-Benzyl-1H-imidazole-4-(ethanamine) Benzyl-[2-(1H-imidazol-4-yl)-ethyl]-amine SCHEMBL4605920 [ Show all ]
Inchi Key	GVOCXQUIZNWEMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15N3/c1-2-4-11(5-3-1)8-13-7-6-12-9-14-10-15-12/h1-5,9-10,13H,6-8H2,(H,14,15)
PubChem CID	14712103
ChEMBL	CHEMBL17740
IUPHAR	N/A
BindingDB	50419043
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
106425	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
106423	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358
106424	Histamine H2 receptor	P47747	HRH2	Cavia porcellus (Guinea pig)	359
106422	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218