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GLASS

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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	genistein
Molecular formula	C15H10O5
IUPAC name	5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Molecular weight	270.24
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.7
Synonyms	PTI G4660 (Genistein) s1342 SMR000112580 Spectrum5_000106 MCULE-4857649752 STK801619 NCGC00015479-02 Tox21_300585 NCGC00015479-11 ZINC18825330 NCGC00015479-19 NCGC00025005-07 NSC 36586 Genistein, 99%, synthetic 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Genistein,(S) AC-472 HMS3428M01 AN-15821 Isoflavone,5,7-trihydroxy- Bio1_000934 KBio2_005132 C.I. 75610 KBioSS_002573 DH2M523P0H 3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0)) 4',5,7-Trihydroxy isoflavone GEN 446-72-0 Oprea1_224620 PubChem9852 SC-04581 SpecPlus_000305 SR-01000075498-1 MLS000738127 TNP00151 NCGC00015479-06 UNII-71B37NR06D component TZBJGXHYKVUXJN-UHFFFAOYSA-N NCGC00015479-14 NCGC00025005-02 NCGC00254275-01 4H-1-Benzopyran-4-one,7-dihydroxy-3-(4-hydroxyphenyl)- Genistein, from Glycine max (soybean), ~98% (HPLC) 690224-00-1 Genisterin ACT05962 HSDB 7475 BC200563 KB-52241 BRD-K43797669-001-02-3 KBio3_001595 CCG-38551 Lactoferrin-genistein cMAP_000086 DSSTox_CID_2308 4 inverted exclamation marka,5,7-Trihydroxyisoflavone FT-0603395 4',7-Trihydroxyisoflavone GENISTEIN (ENDOCRINE DISRUPTER) Prunetol solution, 20 mM in DMSO RP29616 SIPI-9764-I Spectrum3_000678 SR-01000075498-6 N1861 Tox21_110161_1 NCGC00015479-09 UPCMLD-DP096:001 NCGC00015479-17 NCGC00025005-05 NCI60_003369 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone Genistein, synthetic, >=98% (HPLC), powder AB00052696_12 HMS3261H21 AKOS001590147 IN1327 BIDD:ER0113 KBio2_002564 BRN 0263823 KBioGR_002564 CHEBI: 28088 Lopac0_000520 1x7r DTXSID5022308 4′,5,7-Trihydroxyisoflavone G0272 4,5,7-Trihydroxyisoflavone Genistein solution, 20 mM in DMSO PTI-G 4660 SB17235 Sophoricol Spectrum_000320 MEGxp0_000568 STO514 NCGC00015479-04 Tox21_500520 NCGC00015479-12 NCGC00015479-20 NCGC00169711-01 NSC-36586 Genistein, analytical standard 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one Genistein; 4',5,7-Trihydroxyisoflavone AC1NQXT4 HMS3649B22 AOB5073 J10015 Bio1_001423 KBio2_005936 C06563 KS-00000MH8 CHEMBL44 Differenol A 3kgt EU-0100520 4',5,7-trihydroxy-Isoflavone Genestein 46G720 Oprea1_437815 Q-100484 SCHEMBL19166 SPECTRUM210296 SR-01000075498-10 MolMap_000022 Tocris-1110 NCGC00015479-07 UNII-DH2M523P0H NCGC00015479-15 NCGC00025005-03 NCGC00258979-01 5,7,4'-Trihydroxyisoflavone Genistein, Pharmaceutical Secondary Standard; Certified Reference Material A826657 GTPL2826 AJ-70669 HY-14596 BCP07581 KBio1_001345 BRD-K43797669-001-03-1 KBio3_003042 CCRIS 7675 LMPK12050218 CS-1534 DSSTox_GSID_22308 4 inverted exclamation marka,5,7-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one G 6649 4,5,7-Trihydroxy Iso-Flavone Genistein (flavonoid) PTI G4660 S-7751 SMP1_000133 Spectrum4_001543 LS-1266 ST056352 NCGC00015479-01 Tox21_201428 NCGC00015479-10 US8552057, 2 NCGC00015479-18 NCGC00025005-06 NPI 031L Genistein, 8 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Genistein, United States Pharmacopeia (USP) Reference Standard AB1004490 HMS3267K14 ALBB-015886 ISOFLAVONE, 4',5,7-TRIHYDROXY- Bio1_000445 KBio2_003368 BSPBio_002375 KBioSS_000800 CHEBI:28088 LP00520 DB01645 2qa8 EINECS 207-174-9 4',5, 7-Trihydroxyisoflavone G10000 4,6,7-Trihydroxyisoflavone NSC36586 PTI-G4660 SBB066115 SPBio_000636 SR-01000075498 MFCD00016952 SW203763-2 NCGC00015479-05 TZBJGXHYKVUXJN-UHFFFAOYSA-N NCGC00015479-13 NCGC00025005-01 NCGC00169711-02 Genistein, disposable screening library format 5-18-04-00594 (Beilstein Handbook Reference) Genisteol ACon1_001065 HMS3654D17 BBL010484 K00046 Bonistein KBio2_007700 CAS-446-72-0 KS-5128 cid_5280961 DivK1c_006401 3kgu F0001-2388 4',5,7-Trihydroxyisoflavone 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)- Prunetol RL03694 SIPI 807-1 Spectrum2_000638 SR-01000075498-3 MolPort-000-003-911 Tox21_110161 NCGC00015479-08 UPCMLD-DP096 NCGC00015479-16 NCGC00025005-04 NCGC00261205-01 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one Genistein, primary pharmaceutical reference standard AB00052696_09 HMS2271K09 AK161745 I06-0431 BDBM19459 KBio2_000800 BRD-K43797669-001-10-6 KBioGR_002006 CG-009 Lopac-G-6649 D0L4FS DSSTox_RID_76542 4&prime G-2535 4,5,7-Trihydroxyiso-flavone Genistein 85% HPLC [ Show all ]
Inchi Key	TZBJGXHYKVUXJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
PubChem CID	5280961
ChEMBL	CHEMBL44
IUPHAR	N/A
BindingDB	19459
DrugBank	DB01645
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Displacement	20.0 %	PMID8576921	ChEMBL

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