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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Probable G-protein coupled receptor 88
Species	Homo sapiens (Human)
Gene	GPR88
Synonym	GPR88 STRG striatum-specific G-protein coupled receptor
Disease	N/A
Length	384
Amino acid sequence	MTNSSSTSTSSTTGGSLLLLCEEEESWAGRRIPVSLLYSGLAIGGTLANGMVIYLVSSFRKLQTTSNAFIVNGCAADLSVCALWMPQEAVLGLLPTGSAEPPADWDGAGGSYRLLRGGLLGLGLTVSLLSHCLVALNRYLLITRAPATYQALYQRRHTAGMLALSWALALGLVLLLPPWAPRPGAAPPRVHYPALLAAAALLAQTALLLHCYLGIVRRVRVSVKRVSVLNFHLLHQLPGCAAAAAAFPGAQHAPGPGGAAHPAQAQPLPPALHPRRAQRRLSGLSVLLLCCVFLLATQPLVWVSLASGFSLPVPWGVQAASWLLCCALSALNPLLYTWRNEEFRRSVRSVLPGVGDAAAAAVAATAVPAVSQAQLGTRAAGQHW
UniProt	Q9GZN0
Protein Data Bank	N/A
GPCR-HGmod model	Q9GZN0
3D structure model	This predicted structure model is from GPCR-EXP Q9GZN0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3399910
IUPHAR	123
DrugBank	N/A

Ligand

Name	CHEMBL3884002
Molecular formula	C23H30N4O2
IUPAC name	(2S)-N-[(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
Molecular weight	394.519
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.3
Synonyms	BVEORGJATDQLTJ-RBENRJQXSA-N BDBM50209625 (2S)-N-((1R)-2-azido-1-(4-(2-methylpentyloxy)phenyl)ethyl)-2-phenylpropanamide
Inchi Key	BVEORGJATDQLTJ-RBENRJQXSA-N
Inchi ID	InChI=1S/C23H30N4O2/c1-4-8-17(2)16-29-21-13-11-20(12-14-21)22(15-25-27-24)26-23(28)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22H,4,8,15-16H2,1-3H3,(H,26,28)/t17?,18-,22-/m0/s1
PubChem CID	86658399
ChEMBL	CHEMBL3884002
IUPHAR	N/A
BindingDB	50209625
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	134.0 nM	PMID27956039	BindingDB,ChEMBL
EC50	134.9 nM	PMID27956039	ChEMBL
EC50	135.0 nM	PMID27956039	BindingDB

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