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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.
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GPCR

Name	Platelet-activating factor receptor
Species	Homo sapiens (Human)
Gene	PTAFR
Synonym	PAFr PAF-R PAF receptor AGEPC receptor
Disease	Nerve injury Ocular allergy Pain Unspecified Psoriasis Septic shock Solid tumours Stroke Thrombocytopenia Thromboembolism Inflammatory disease Inflammatory bowel disease Conjunctivitis Cerebral infarction Cardiac arrhythmias Allergy Asthma Brain ischaemia [ Show all ]
Length	342
Amino acid sequence	MEPHDSSHMDSEFRYTLFPIVYSIIFVLGVIANGYVLWVFARLYPCKKFNEIKIFMVNLTMADMLFLITLPLWIVYYQNQGNWILPKFLCNVAGCLFFINTYCSVAFLGVITYNRFQAVTRPIKTAQANTRKRGISLSLVIWVAIVGAASYFLILDSTNTVPDSAGSGNVTRCFEHYEKGSVPVLIIHIFIVFSFFLVFLIILFCNLVIIRTLLMQPVQQQRNAEVKRRALWMVCTVLAVFIICFVPHHVVQLPWTLAELGFQDSKFHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLTEKFYSMRSSRKCSRATTDTVTEVVVPFNQIPGNSLKN
UniProt	P25105
Protein Data Bank	5zkq, 5zkp
GPCR-HGmod model	P25105
3D structure model	This structure is from PDB ID 5zkq.
BioLiP	BL0417415, BL0417417,BL0417419, BL0417416,BL0417418, BL0417414
Therapeutic Target Database	T87023
ChEMBL	CHEMBL250
IUPHAR	334
DrugBank	BE0005561

Ligand

Name	CHEMBL2304165
Molecular formula	C17H20Cl2O6
IUPAC name	(1S,3R,3'R,4R,6S,7R,9R)-7-tert-butyl-3,4-dichloro-3'-hydroxyspiro[10,12-dioxatetracyclo[5.4.1.01,5.05,9]dodecane-6,4'-oxolane]-2',11-dione
Molecular weight	391.241
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.9
Synonyms	N/A
Inchi Key	DKVQUUKNXRIAEI-FAACCQDUSA-N
Inchi ID	InChI=1S/C17H20Cl2O6/c1-13(2,3)16-5-8-17(14(16)6-23-11(21)10(14)20)9(19)7(18)4-15(17,25-16)12(22)24-8/h7-10,20H,4-6H2,1-3H3/t7-,8-,9+,10+,14-,15-,16-,17?/m1/s1
PubChem CID	73349844
ChEMBL	CHEMBL2304165
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Binding affinity	4.42 uM	PMID9871752	ChEMBL
Binding affinity	38.0 uM	PMID9871752	ChEMBL

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