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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL287080
Molecular formula	C24H31F3O5
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight	456.502
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	3.6
Synonyms	17-trifluoromethylphenyl trinor Prostaglandin F2.alpha. J-014533 BDBM50090133 SR-01000946521-1 (Z)-7-[(1R)-2beta-[(1E,3S)-3-Hydroxy-5-[3-(trifluoromethyl)phenyl]-1-pentenyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]-5-heptenoic acid CMLNDCUXASGBMQ-NQUQXYBYSA-N MolPort-027-640-968 ZINC29322759 (Z)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E)-(S)-3-hydroxy-5-(3-trifluoromethyl-phenyl)-pent-1-enyl]-cyclopentyl}-hept-5-enoic acid HMS3648J22 9.alpha.,11.alpha.,15S-Trihydroxy-17-trifluoromethylphenyl-18,19,20-trinor-prosta-5Z,13E-dien-1-oic acid SR-01000946521 [ Show all ]
Inchi Key	CMLNDCUXASGBMQ-NQUQXYBYSA-N
Inchi ID	InChI=1S/C24H31F3O5/c25-24(26,27)17-7-5-6-16(14-17)10-11-18(28)12-13-20-19(21(29)15-22(20)30)8-3-1-2-4-9-23(31)32/h1,3,5-7,12-14,18-22,28-30H,2,4,8-11,15H2,(H,31,32)/b3-1-,13-12+/t18-,19+,20+,21-,22+/m0/s1
PubChem CID	9825293
ChEMBL	CHEMBL287080
IUPHAR	N/A
BindingDB	50090133
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<20000.0 nM	PMID10915040	BindingDB,ChEMBL

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