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GPCR

Name	Proteinase-activated receptor 2
Species	Homo sapiens (Human)
Gene	F2RL1
Synonym	Protease-activated receptor-2 PAR2 PAR-2 GPR11 G-protein coupled receptor 11 coagulation factor II receptor-like 1 coagulation factor II (thrombin) receptor-like 1 Thrombin receptor-like 1 [ Show all ]
Disease	N/A
Length	397
Amino acid sequence	MRSPSAAWLLGAAILLAASLSCSGTIQGTNRSSKGRSLIGKVDGTSHVTGKGVTVETVFSVDEFSASVLTGKLTTVFLPIVYTIVFVVGLPSNGMALWVFLFRTKKKHPAVIYMANLALADLLSVIWFPLKIAYHIHGNNWIYGEALCNVLIGFFYGNMYCSILFMTCLSVQRYWVIVNPMGHSRKKANIAIGISLAIWLLILLVTIPLYVVKQTIFIPALNITTCHDVLPEQLLVGDMFNYFLSLAIGVFLFPAFLTASAYVLMIRMLRSSAMDENSEKKRKRAIKLIVTVLAMYLICFTPSNLLLVVHYFLIKSQGQSHVYALYIVALCLSTLNSCIDPFVYYFVSHDFRDHAKNALLCRSVRTVKQMQVSLTSKKHSRKSSSYSSSSTTVKTSY
UniProt	P55085
Protein Data Bank	5ndz, 5ndd
GPCR-HGmod model	P55085
3D structure model	This structure is from PDB ID 5ndz.
BioLiP	BL0377325, BL0377326
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5963
IUPHAR	348
DrugBank	N/A

Ligand

Name	triptolide
Molecular formula	C20H24O6
IUPAC name	(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one
Molecular weight	360.406
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	0.2
Synonyms	BRD-K39484304-001-16-5 CPD000466307 HMS2051N13 KBioGR_000315 NC00207 NSC163062 SAM001246553 (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one Triptolide, 1 ZINC8234271 AKOS022168197 BDBM50241049 C20H24O6 DFBIRQPKNDILPW-CIVMWXNOSA-N KBio2_000315 MFCD00210565 NCGC00163411-03 PG490 SMR000466307 (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)- AB00639938-08 BRD-K39484304-001-02-5 HMS1791P17 KBio3_000629 MLS006010844 NSC 163062 s3604 19ALD1S53J UNII-19ALD1S53J AC1Q6AXN BSPBio_001595 D0I6LH HMS3402P17 KBioSS_000315 NCGC00163411-01 PG 490 SC-14019 (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one Triptolide, Tripterygium wilfordii 748T322 AM84923 Bio2_000315 CCG-100957 DTXSID5041144 KBio2_002883 MLS000759410 NCGC00163411-07 PG490;PG 490;PG-490 TPL (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H) Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS,8b.beta.)]- ABP000271 BRD-K39484304-001-06-6 CHEMBL463763 HMS1989P17 KBio3_000630 MolPort-016-638-463 NSC-163062 s493 (-)-Triptolide Triptolide(PG490)/ 38748-32-2 W-2654 AK198748 C09204 DB12025 IDI1_034065 LS-157717 NCGC00163411-02 PG-490 SCHEMBL413634 (3bs,4as,5as,6r,6ar,7as,7bs,8as,8bs)-6-hydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3h)-one Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)- AB00639938-06 AN-10373 Bio2_000795 CHEBI:9747 HMS1361P17 KBio2_005451 MLS001424107 NCI60_001223 Q-100450 Triptolid (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS,8b.beta.)]- AC1L3342 [ Show all ]
Inchi Key	DFBIRQPKNDILPW-CIVMWXNOSA-N
Inchi ID	InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
PubChem CID	107985
ChEMBL	CHEMBL463763
IUPHAR	N/A
BindingDB	50241049
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	14.0 nM	PMID23895492	BindingDB,ChEMBL
IC50	23.0 nM	PMID23895492	BindingDB,ChEMBL

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