You can:
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 [ 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 |
Name | CHEMBL425243 |
---|---|
Molecular formula | C22H26ClNO4S |
IUPAC name | 5-[3-[(2S)-2-[4-(4-chlorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid |
Molecular weight | 435.963 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | BDBM50181282 SCHEMBL4990824 5-(3-((S)-2-(4-(4-chlorophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid |
Inchi Key | MEGLXJYQFSBUAK-ZENAZSQFSA-N |
Inchi ID | InChI=1S/C22H26ClNO4S/c23-16-5-3-15(4-6-16)14-18(25)9-7-17-8-12-21(26)24(17)13-1-2-19-10-11-20(29-19)22(27)28/h3-6,10-11,17-18,25H,1-2,7-9,12-14H2,(H,27,28)/t17-,18?/m0/s1 |
PubChem CID | 44409918 |
ChEMBL | CHEMBL425243 |
IUPHAR | N/A |
BindingDB | 50181282 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <3200.0 nM | PMID16442794 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417