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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.
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.
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GPCR

Name	Platelet-activating factor receptor
Species	Cavia porcellus (Guinea pig)
Gene	PTAFR
Synonym	PAF-R PAFr
Disease	N/A for non-human GPCRs
Length	342
Amino acid sequence	MELNSSSRVDSEFRYTLFPIVYSIIFVLGIIANGYVLWVFARLYPSKKLNEIKIFMVNLTVADLLFLITLPLWIVYYSNQGNWFLPKFLCNLAGCLFFINTYCSVAFLGVITYNRFQAVKYPIKTAQATTRKRGIALSLVIWVAIVAAASYFLVMDSTNVVSNKAGSGNITRCFEHYEKGSKPVLIIHICIVLGFFIVFLLILFCNLVIIHTLLRQPVKQQRNAEVRRRALWMVCTVLAVFVICFVPHHMVQLPWTLAELGMWPSSNHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLSEKLNIMRSSQKCSRVTTDTGTEMAIPINHTPVNPIKN
UniProt	P21556
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5136
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL99833
Molecular formula	C22H26N4O2
IUPAC name	2-[4-(3-hydroxy-3-phenylbutanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight	378.476
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.3
Synonyms	[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile BDBM50045958 SCHEMBL9574978
Inchi Key	KNNXUNISNZGBDP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N4O2/c1-17-19(9-6-10-24-17)20(16-23)25-11-13-26(14-12-25)21(27)15-22(2,28)18-7-4-3-5-8-18/h3-10,20,28H,11-15H2,1-2H3
PubChem CID	10474804
ChEMBL	CHEMBL99833
IUPHAR	N/A
BindingDB	50045958
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	36.0 nM	PMID8411016	BindingDB,ChEMBL

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