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	N-1-adamantyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
Molecular formula	C22H31N3O2
IUPAC name	N-(1-adamantyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
Molecular weight	369.509
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	CHEMBL1363912 N-adamantanyl[4-(2-methoxyphenyl)piperazinyl]carboxamide A3669/0155529 MCULE-3089362779 ST4111830 AKOS004093687 N-(1-adamantyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide CHEMBL146232 N~1~-(1-adamantyl)-4-(2-methoxyphenyl)tetrahydro-1(2H)-pyrazinecarboxamide AC1NKY3A MLS000679159 STK742065 4-(2-methoxyphenyl)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazine-1-carboxamide HMS2608K08 SMR000297438 AKOS001740464 MolPort-002-128-496 ZINC4629079 [ Show all ]
Inchi Key	ABOXUWGVZDOQAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N3O2/c1-27-20-5-3-2-4-19(20)24-6-8-25(9-7-24)21(26)23-22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3,(H,23,26)
PubChem CID	4920969
ChEMBL	CHEMBL1363912
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
1051	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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