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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.
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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	CHEMBL139760
Molecular formula	C21H20Cl2N2O
IUPAC name	1-[4-(13,14-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]ethanone
Molecular weight	387.304
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.1
Synonyms	1-[4-(8,9-Dichloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone BDBM50007459 SCHEMBL8878153 5,6-Dihydro-11-(1-acetyl-4-piperidinylidene)-8,9-dichloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
Inchi Key	JMNWUROIQQVCMZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20Cl2N2O/c1-13(26)25-9-6-14(7-10-25)20-17-12-19(23)18(22)11-16(17)5-4-15-3-2-8-24-21(15)20/h2-3,8,11-12H,4-7,9-10H2,1H3
PubChem CID	14554145
ChEMBL	CHEMBL139760
IUPHAR	N/A
BindingDB	50007459
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1800.0 nM	PMID1671420	BindingDB,ChEMBL
Inhibition	14.0 %	PMID1671420	ChEMBL

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