Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●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 ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	Prostaglandin E2 receptor EP1 subtype
Species	Homo sapiens (Human)
Gene	PTGER1
Synonym	PGE receptor EP1 subtype EP1 receptor prostaglandin E receptor 1 (subtype EP1), 42kDa Prostanoid EP1 receptor EP1 prostanoid receptor PGE2 receptor EP1 subtype [ Show all ]
Disease	Unspecified Thrombosis Pollakiuria Pain
Length	402
Amino acid sequence	MSPCGPLNLSLAGEATTCAAPWVPNTSAVPPSGASPALPIFSMTLGAVSNLLALALLAQAAGRLRRRRSAATFLLFVASLLATDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTRPLLHAARVSVARARLALAAVAAVALAVALLPLARVGRYELQYPGTWCFIGLGPPGGWRQALLAGLFASLGLVALLAALVCNTLSGLALLRARWRRRSRRPPPASGPDSRRRWGAHGPRSASASSASSIASASTFFGGSRSSGSARRARAHDVEMVGQLVGIMVVSCICWSPMLVLVALAVGGWSSTSLQRPLFLAVRLASWNQILDPWVYILLRQAVLRQLLRLLPPRAGAKGGPAGLGLTPSAWEASSLRSSRHSGLSHF
UniProt	P34995
Protein Data Bank	N/A
GPCR-HGmod model	P34995
3D structure model	This predicted structure model is from GPCR-EXP P34995.
BioLiP	N/A
Therapeutic Target Database	T15497
ChEMBL	CHEMBL1811
IUPHAR	340
DrugBank	BE0000064

Ligand

Name	SC 19220
Molecular formula	C16H14ClN3O3
IUPAC name	N'-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Molecular weight	331.756
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxy-(2-acetyl)hydrazide CHEBI:92916 HMS3263K16 LP01097 NCGC00015943-03 S 3065 SR-01000076128-2 B6633 CTK8G3065 J-012559 MolPort-003-959-528 NCGC00025038-01 SC-19220 Tox21_501097 8-Chloro-dibenzo(Z)[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-acetylhydrazide CAS_4336830 GTPL1922 Lopac-S-3065 NCGC00015943-01 NCGC00261782-01 SMR000326951 AC1N81PQ HMS3267B11 MFCD02259329 NCGC00015943-04 SR-01000076128-3 19395-87-0 BDBM85341 D0OA8M KNURFLJTOUGOOQ-UHFFFAOYSA-N N'-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide NCGC00025038-02 SC19220 ZINC2392218 8-Chloro-dibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid CCG-205174 HMS2231G10 Lopac0_001097 NCGC00015943-02 NSC_4336830 SR-01000076128 AKOS024456464 CHEMBL112816 HMS3370E15 MLS000862188 NCGC00015943-05 SC 19220, >=98% (HPLC), solid Tocris-1206 2-Acetylhydrazide 10(11H)-carboxylic acid BRD-K52512893-001-03-0 EU-0101097 L024046 N'-acetyl-3-chloro-6H-benzo[b][1,5]benzoxazepine-5-carbohydrazide NCGC00025038-03 SCHEMBL12648484 [ Show all ]
Inchi Key	KNURFLJTOUGOOQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H14ClN3O3/c1-10(21)18-19-16(22)20-9-11-4-2-3-5-14(11)23-15-7-6-12(17)8-13(15)20/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
PubChem CID	4336830
ChEMBL	CHEMBL112816
IUPHAR	1922
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	31622.8 nM	PMID11999132	IUPHAR

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417