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	Apelin receptor
Species	Homo sapiens (Human)
Gene	APLNR
Synonym	msr/apj GPCR34 G-protein coupled receptor HG11 G-protein coupled receptor APJ AGTRL1 angiotensin II receptor-like 1 angiotensin receptor-like 1 APJR APJ apelin receptor B78 [ Show all ]
Disease	N/A
Length	380
Amino acid sequence	MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
UniProt	P35414
Protein Data Bank	5vbl
GPCR-HGmod model	P35414
3D structure model	This structure is from PDB ID 5vbl.
BioLiP	BL0380094, BL0380093
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1628481
IUPHAR	36
DrugBank	N/A

Ligand

Name	MLS000331887
Molecular formula	C11H12N6O2S
IUPAC name	4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
Molecular weight	292.317
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	4-methoxy-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide AP-970/42445617 MolPort-001-589-006 4-methoxy-N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide CHEMBL1386972 STK743522 1-(4-Methoxy-benzoyl)-3-(2-methyl-2H-tetrazol-5-yl)-thiourea AC1LIUJD MCULE-1409495298 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide BDBM67238 N-(4-methoxybenzoyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea 587010-25-1 cid_938458 ZINC533424 4-methoxy-N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide AKOS000465942 4-methoxy-N-[(2-methyltetrazol-5-yl)thiocarbamoyl]benzamide SMR000221339 HMS2557H06 [ Show all ]
Inchi Key	DBXOVTUVEZVYTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N6O2S/c1-17-15-10(14-16-17)13-11(20)12-9(18)7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H2,12,13,15,18,20)
PubChem CID	938458
ChEMBL	CHEMBL1386972
IUPHAR	N/A
BindingDB	67238
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	14500.0 nM	N/A	BindingDB

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