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GPCR

Name	Platelet-activating factor receptor
Species	Cavia porcellus (Guinea pig)
Gene	PTAFR
Synonym	PAF-R PAFr
Disease	N/A for non-human GPCRs
Length	342
Amino acid sequence	MELNSSSRVDSEFRYTLFPIVYSIIFVLGIIANGYVLWVFARLYPSKKLNEIKIFMVNLTVADLLFLITLPLWIVYYSNQGNWFLPKFLCNLAGCLFFINTYCSVAFLGVITYNRFQAVKYPIKTAQATTRKRGIALSLVIWVAIVAAASYFLVMDSTNVVSNKAGSGNITRCFEHYEKGSKPVLIIHICIVLGFFIVFLLILFCNLVIIHTLLRQPVKQQRNAEVRRRALWMVCTVLAVFVICFVPHHMVQLPWTLAELGMWPSSNHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLSEKLNIMRSSQKCSRVTTDTGTEMAIPINHTPVNPIKN
UniProt	P21556
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5136
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Apafant
Molecular formula	C22H22ClN5O2S
IUPAC name	3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
Molecular weight	455.961
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.1
Synonyms	Apafant [USAN:INN] BRN 4302553 D01652 DTXSID5048974 LS-92643 Oprea1_587188 Tox21_113594 1-Propanone, 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-;1-Propanone, 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)- WEB2086 3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-1-morpholin-4-yl-propan-1-one(WEB 2086) AKOS024457059 Apafantum CAS-105219-56-5 D0X7ZW GTPL1860 NCGC00092377-01 RT-016257 UNII-J613NI05SV ZINC608180 4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]morpholine Apafant (JAN/USAN/INN) BDBM50000714 CHEMBL280164 DSSTox_GSID_48974 J613NI05SV NCGC00092377-04 SR-01000945084-1 (E)-3-(4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl)-1-morpholinopropan-1-one WEB 2086BS 3-(4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl)-1-morpholinopropan-1-one AC1L246K Apafanto C-33070 D07DKC FT-0662248 MolPort-003-844-652 PDSP1_000669 Tox21_113594_1 105219-56-5 WEB2086, >=98% (HPLC) 3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-1-morpholin-4-yl-propan-1-one(WEB2086) AN-34008 Apafantum [INN-Latin] CHEBI:92490 DE-081 HMS3268N16 NCGC00092377-02 SCHEMBL94167 Web 2086 219W565 [3H]apafant 4-[3-[4-(2-CHLOROPHENYL)-9-METHYL-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPIN-2-YL]-1-OXOPROPYL]-MORPHOLINE 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]]morpholine Apafant (ophthalmic formulation), Santen BRD-K28115081-001-01-9 CTK8F0015 DSSTox_RID_83168 L001111 NCGC00183135-01 Tox21_113429 WEB-2086 3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-1-morpholin-4-yl-propan-1-one AC1Q3P7E Apafanto [INN-Spanish] C22H22ClN5O2S D0CB8W GTPL1859 Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- PDSP2_000659 triazolodiazepine ZB014596 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one 4-[3-[4-(2-chlorophenyl)-9-methyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]morpholine B7024 DSSTox_CID_28900 J-001361 NCGC00092377-03 SR-01000945084 WEB 2086 BS 3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone [3H]WEB 2086 [ Show all ]
Inchi Key	JGPJQFOROWSRRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
PubChem CID	65889
ChEMBL	CHEMBL280164
IUPHAR	1860, 1859
BindingDB	50000714
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	91.0 nM	PMID1433215, PMID8411016	BindingDB,ChEMBL
IC50	146.0 nM	PMID1507200	BindingDB,ChEMBL
ID50	0.03 mg.kg-1	PMID2754709	ChEMBL
Inhibition	100.0 %	PMID2754709	ChEMBL
Ki	7.079 nM	PMID7783144	ChEMBL
Ki	98.0 nM	PMID8027984, PMID1317924	BindingDB,ChEMBL
Ki	98.3 nM	PMID8027984	ChEMBL
pKb	7.42 -	PMID7783144	ChEMBL

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