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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	CHEMBL326821
Molecular formula	C20H22ClN3O
IUPAC name	1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]ethanone
Molecular weight	355.866
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.6
Synonyms	8-CHLORO-11-(1-ACETYL-4-PIPERAZINYL)-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE Sch-40338 1-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}piperazin-1-yl)ethan-1-one GTPL1854 AIESXMXVDNOKQF-UHFFFAOYSA-N SCHEMBL8877591 1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazin-1-yl]-ethanone SCH 40338 BDBM50073173 D0Q8YN 117796-62-0 [ Show all ]
Inchi Key	AIESXMXVDNOKQF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3
PubChem CID	9950564
ChEMBL	CHEMBL326821
IUPHAR	1854
BindingDB	50073173
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	630.957 nM	PMID10465415	IUPHAR

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