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	CHEMBL1632412
Molecular formula	C16H21N3O
IUPAC name	(NZ)-N-[(5-methyl-1H-indol-2-yl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
Molecular weight	271.364
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.2
Synonyms	N/A
Inchi Key	VOIJIMTXMUBFDD-VLGSPTGOSA-N
Inchi ID	InChI=1S/C16H21N3O/c1-11-3-4-14-13(9-11)10-15(17-14)16(18-20)12-5-7-19(2)8-6-12/h3-4,9-10,12,17,20H,5-8H2,1-2H3/b18-16-
PubChem CID	136141537
ChEMBL	CHEMBL1632412
IUPHAR	N/A
BindingDB	N/A
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
568518	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
568520	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
568517	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
568515	Histamine H4 receptor	Q91ZY1	Hrh4	Rattus norvegicus (Rat)	391
568516	Histamine H4 receptor	Q91ZY2	Hrh4	Mus musculus (Mouse)	391
568519	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390

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