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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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	SR-01000075498 MFCD00016952 SW203763-2 NCGC00015479-05 TZBJGXHYKVUXJN-UHFFFAOYSA-N NCGC00015479-13 NCGC00025005-01 NCGC00169711-02 NSC36586 PTI-G4660 SBB066115 SPBio_000636 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 Genistein, 99%, synthetic 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Genistein,(S) AC-472 HMS3428M01 AN-15821 SR-01000075498-3 MolPort-000-003-911 Tox21_110161 NCGC00015479-08 UPCMLD-DP096 NCGC00015479-16 NCGC00025005-04 NCGC00261205-01 Prunetol RL03694 SIPI 807-1 Spectrum2_000638 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) 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 Spectrum5_000106 MCULE-4857649752 STK801619 NCGC00015479-02 Tox21_300585 NCGC00015479-11 ZINC18825330 NCGC00015479-19 NCGC00025005-07 NSC 36586 PTI G4660 (Genistein) s1342 SMR000112580 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 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone Genistein, synthetic, >=98% (HPLC), powder AB00052696_12 HMS3261H21 AKOS001590147 IN1327 SR-01000075498-1 MLS000738127 TNP00151 NCGC00015479-06 UNII-71B37NR06D component TZBJGXHYKVUXJN-UHFFFAOYSA-N NCGC00015479-14 NCGC00025005-02 NCGC00254275-01 Oprea1_224620 PubChem9852 SC-04581 SpecPlus_000305 J10015 Bio1_001423 KBio2_005936 C06563 KS-00000MH8 CHEMBL44 Differenol A 3kgt EU-0100520 4',5,7-trihydroxy-Isoflavone Genestein 46G720 Genistein, analytical standard 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one Genistein; 4',5,7-Trihydroxyisoflavone AC1NQXT4 HMS3649B22 AOB5073 SR-01000075498-6 N1861 Tox21_110161_1 NCGC00015479-09 UPCMLD-DP096:001 NCGC00015479-17 NCGC00025005-05 NCI60_003369 Prunetol solution, 20 mM in DMSO RP29616 SIPI-9764-I Spectrum3_000678 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) 5,7,4'-Trihydroxyisoflavone Genistein, Pharmaceutical Secondary Standard; Certified Reference Material A826657 GTPL2826 AJ-70669 HY-14596 Spectrum_000320 MEGxp0_000568 STO514 NCGC00015479-04 Tox21_500520 NCGC00015479-12 NCGC00015479-20 NCGC00169711-01 NSC-36586 PTI-G 4660 SB17235 Sophoricol 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 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- SR-01000075498-10 MolMap_000022 Tocris-1110 NCGC00015479-07 UNII-DH2M523P0H NCGC00015479-15 NCGC00025005-03 NCGC00258979-01 Oprea1_437815 Q-100484 SCHEMBL19166 SPECTRUM210296 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)- Genistein, disposable screening library format 5-18-04-00594 (Beilstein Handbook Reference) Genisteol ACon1_001065 HMS3654D17 BBL010484 LS-1266 ST056352 NCGC00015479-01 Tox21_201428 NCGC00015479-10 US8552057, 2 NCGC00015479-18 NCGC00025005-06 NPI 031L PTI G4660 S-7751 SMP1_000133 Spectrum4_001543 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 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one Genistein, primary pharmaceutical reference standard AB00052696_09 HMS2271K09 AK161745 I06-0431 [ 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
IC50	10469.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2991.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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