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GPCR

Name	G-protein coupled receptor 35
Species	Homo sapiens (Human)
Gene	GPR35
Synonym	G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor
Disease	N/A
Length	309
Amino acid sequence	MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
UniProt	Q9HC97
Protein Data Bank	N/A
GPCR-HGmod model	Q9HC97
3D structure model	This predicted structure model is from GPCR-EXP Q9HC97.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293267
IUPHAR	102
DrugBank	BE0005562

Ligand

Name	baicalein
Molecular formula	C15H10O5
IUPAC name	5,6,7-trihydroxy-2-phenylchromen-4-one
Molecular weight	270.24
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.7
Synonyms	BaiKalein Spectrum3_001608 BSPBio_003215 SR-01000597499-6 DivK1c_006854 W-2736 HMS3649O19 KBio2_006043 MLS002473007 27462-75-5 NCGC00017236-05 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one NCGC00025282-04 Oprea1_765614 SDCCGMLS-0066744.P001 SMR000112462 BDBM50009001 Spectrum_000427 CHEBI:2979 SW219229-1 FXNFHKRTJBSTCS-UHFFFAOYSA-N IN1408 KBioSS_000907 N1858 491B678 NCGC00017236-08 5,6,7-trihydroxy-2-phenyl-chromen-4-one NSC 661431 AC1NQYPP s2268 Baicalein, 98% SPECTRUM1504002 BRD-K72327355-001-02-2 SR-01000597499-3 CS-6159 UNII-49QAH60606 HMS2267F15 KBio2_000907 MCULE-8669340472 NCGC00017236-03 4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-phenyl- NCGC00025282-02 5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one NSC661431 ALBB-028286 SC-20654 Baicalein,(S) BBL027840 Spectrum4_000537 C10023 ST057152 DTXSID2022389 ZINC3871633 HMS3655P18 KBio3_002435 MLS006011756 3WL NCGC00017236-06 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one NCGC00178204-01 AB0018364 Q-100550 Baicalein, 14 Sho-saiko-to SPBio_000572 Biacalein SR-01000597499 TNP00121 GTPL5144 KB-47494 LMPK12111095 NCGC00017236-01 49QAH60606 NCGC00017236-10 5,6,7-trihydroxy-2-phenylchromen-4-one NSC-661431 AK168078 SBB067246 Baicalein, analytical reference material Baicelein Spectrum2_000466 BRD-K72327355-001-06-3 SR-01000597499-4 D00YEV W-202870 HMS3268C22 KBio2_003475 MFCD00017459 NCGC00017236-04 5,6,7-Trihydroxy-2-phenyl-(4H)-1-benzopyran-4-one NCGC00025282-03 5,7-Trihydroxyflavone NSC729192 AN-8474 SCHEMBL139617 BCP14393 Spectrum5_001418 CCG-38705 STL146746 FT-0622548 HY-N0196 KBioGR_001173 MolPort-001-741-408 491-67-8 NCGC00017236-07 5,6,7-Trihydroxy-2-phenyl-chroman-4-one Noroxylin AC-7991 S00113 Baicalein, 8 SMP1_000037 SpecPlus_000758 BIDD:ER0121 SR-01000597499-1 CHEMBL8260 Tocris-1761 HMS1922O22 KBio1_001798 LS-39842 NCGC00017236-02 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl- NCGC00025282-01 5,6,7-Trihydroxyflavone NSC-729192 AKOS005747014 SC-04798 Baicalein, disposable screening library format [ Show all ]
Inchi Key	FXNFHKRTJBSTCS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
PubChem CID	5281605
ChEMBL	CHEMBL8260
IUPHAR	N/A
BindingDB	50009001
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	10300.0 nM	PMID24900447	BindingDB,ChEMBL
EC50	22700.0 nM	PMID24900447	BindingDB,ChEMBL
Efficacy	248.0 picometer	PMID24900447	ChEMBL
IC50	28200.0 nM	PMID24900447	BindingDB,ChEMBL
Ratio	2.1 -	PMID24900447	ChEMBL

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