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GLASS

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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	NVP-QAV680
Molecular formula	C18H18N2O4S
IUPAC name	2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
Molecular weight	358.412
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.0
Synonyms	BCP28134 NVP-QAV-680 UNII-0E3D72URPD 2-(2-methyl-1-(4-(methylsulfonyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid CHEMBL2442750 QAV-680 872365-16-7 GTPL8996 QAV690 free acid 0E3D72URPD BDBM50442299 ZINC34600373 2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid CS-3461 QAV-690 free acid AKOS027422678 HY-12284 SCHEMBL1941180 1H-Pyrrolo(2,3-b)pyridine-3-acetic acid, 2-methyl-1-((4-(methylsulfonyl)phenyl)methyl)- NVP-QAV680 /NVPQAV680 DB11658 QAV680 [ Show all ]
Inchi Key	YOPFAMROKXHVCQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
PubChem CID	11508736
ChEMBL	CHEMBL2442750
IUPHAR	N/A
BindingDB	50442299
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	<10000.0 nM	PMID24021582	BindingDB,ChEMBL

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