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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL290840
Molecular formula	C34H59N2O5+
IUPAC name	(5-octadecoxyoxolan-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate
Molecular weight	575.855
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	9.9
Synonyms	BDBM50005229 2-[N-Acetyl-N-[[[tetrahydro-5-octadecyloxyfuran]-3-yl]methoxycarbonyl]aminomethyl]-1-ethylpyridinium CHEMBL1181271 2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; chloride AC1L30F2 (5-octadecoxyoxolan-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate 2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; iodide [ Show all ]
Inchi Key	AEBQYQRMRZSJQU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1
PubChem CID	132115
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50005229
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12.0 nM	N/A	BindingDB

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