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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	CHEMBL23779
Molecular formula	C17H21BrO7
IUPAC name	(1S,3R,6S,8S,10R,12R,13R)-13-bromo-8-tert-butyl-6,12-dihydroxy-2,4,16-trioxapentacyclo[8.4.2.01,11.03,7.07,11]hexadecane-5,15-dione
Molecular weight	417.252
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.4
Synonyms	N/A
Inchi Key	ATLYCLODPLWYQA-PTWIHJLESA-N
Inchi ID	InChI=1S/C17H21BrO7/c1-14(2,3)7-4-8-17-9(19)6(18)5-15(17,12(22)23-8)25-13-16(7,17)10(20)11(21)24-13/h6-10,13,19-20H,4-5H2,1-3H3/t6-,7+,8-,9+,10-,13+,15-,16?,17?/m1/s1
PubChem CID	44459337
ChEMBL	CHEMBL23779
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	3.89 uM	PMID9871752	ChEMBL
Binding affinity	14.0 uM	PMID9871752	ChEMBL

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