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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	CHEMBL20644
Molecular formula	C31H26ClN5S
IUPAC name	7-(2-chlorophenyl)-13-methyl-4-[3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)prop-1-ynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Molecular weight	536.094
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	7.1
Synonyms	4-(2-Chlorophenyl)-9-methyl-2-[3-[(5,6,7,8,9,10-hexahydrocyclohept[b]indol)-5-yl]-1-propynyl]-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine BDBM50011604 5-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-5,6,7,8,9,10-hexahydro-cyclohepta[b]indole
Inchi Key	ACOAOQXYMXNUDR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H26ClN5S/c1-20-34-35-29-19-33-30(24-13-5-7-14-26(24)32)25-18-21(38-31(25)37(20)29)10-9-17-36-27-15-4-2-3-11-22(27)23-12-6-8-16-28(23)36/h5-8,12-14,16,18H,2-4,11,15,17,19H2,1H3
PubChem CID	44273441
ChEMBL	CHEMBL20644
IUPHAR	N/A
BindingDB	50011604
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	15.0 nM	PMID2002463	BindingDB,ChEMBL
ID50	0.003 mg.kg-1	PMID2002463	ChEMBL

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