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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Prostaglandin F2-alpha receptor
Species	Homo sapiens (Human)
Gene	PTGFR
Synonym	Prostanoid FP receptor prostaglandin F2-alpha receptor prostaglandin F receptor (FP) prostaglandin F receptor PGF2-alpha receptor PGF2 alpha receptor PGF receptor PF2AR FP receptor [ Show all ]
Disease	Glaucoma Ocular disease Renal cancer Dysmenorrhea Alzheimer disease Aborting pregnancy Open-angle glaucoma; Ocular hypertension [ Show all ]
Length	359
Amino acid sequence	MSMNNSKQLVSPAAALLSNTTCQTENRLSVFFSVIFMTVGILSNSLAIAILMKAYQRFRQKSKASFLLLASGLVITDFFGHLINGAIAVFVYASDKEWIRFDQSNVLCSIFGICMVFSGLCPLLLGSVMAIERCIGVTKPIFHSTKITSKHVKMMLSGVCLFAVFIALLPILGHRDYKIQASRTWCFYNTEDIKDWEDRFYLLLFSFLGLLALGVSLLCNAITGITLLRVKFKSQQHRQGRSHHLEMVIQLLAIMCVSCICWSPFLVTMANIGINGNHSLETCETTLFALRMATWNQILDPWVYILLRKAVLKNLYKLASQCCGVHVISLHIWELSSIKNSLKVAAISESPVAEKSAST
UniProt	P43088
Protein Data Bank	N/A
GPCR-HGmod model	P43088
3D structure model	This predicted structure model is from GPCR-EXP P43088.
BioLiP	N/A
Therapeutic Target Database	T75797
ChEMBL	CHEMBL1987
IUPHAR	344
DrugBank	BE0000610

Ligand

Name	CHEMBL1910332
Molecular formula	C39H42N6O6
IUPAC name	(3S)-3-[[(2S)-2-[[(2S)-1-[benzyl-[(2-phenylacetyl)amino]carbamoyl]pyrrolidine-2-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid
Molecular weight	690.801
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.0
Synonyms	N/A
Inchi Key	DYLCCBPGXVXBGC-AFEGWXKPSA-N
Inchi ID	InChI=1S/C39H42N6O6/c46-35(24-29-14-6-2-7-15-29)43-45(27-30-16-8-3-9-17-30)39(51)44-21-11-19-34(44)38(50)42-33(23-31-18-10-20-40-26-31)37(49)41-32(25-36(47)48)22-28-12-4-1-5-13-28/h1-10,12-18,20,26,32-34H,11,19,21-25,27H2,(H,41,49)(H,42,50)(H,43,46)(H,47,48)/t32-,33-,34-/m0/s1
PubChem CID	53473398
ChEMBL	CHEMBL1910332
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	37.4 %	PMID21774512	ChEMBL

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