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	CHEMBL154478
Molecular formula	C18H29N3O6
IUPAC name	(E)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-heptylcarbamate
Molecular weight	383.445
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	None
Synonyms	N/A
Inchi Key	HPVLXQQLAZVFDW-WLHGVMLRSA-N
Inchi ID	InChI=1S/C14H25N3O2.C4H4O4/c1-2-3-4-5-6-9-16-14(18)19-10-7-8-13-11-15-12-17-13;5-3(6)1-2-4(7)8/h11-12H,2-10H2,1H3,(H,15,17)(H,16,18);1-2H,(H,5,6)(H,7,8)/b;2-1+
PubChem CID	44370568
ChEMBL	CHEMBL154478
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

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
121054	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
121051	Histamine H2 receptor	P47747	HRH2	Cavia porcellus (Guinea pig)	359
121052	Histamine H3 receptor	Q9JI35	HRH3	Cavia porcellus (Guinea pig)	445
121053	Histamine H3 receptor	Q9QYN8	Hrh3	Rattus norvegicus (Rat)	445
121055	Histamine H3 receptor	P58406	Hrh3	Mus musculus (Mouse)	445

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