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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	pindolol
Molecular formula	C14H20N2O2
IUPAC name	1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	248.326
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	NSC757276 Pectobloc Pindolol [USAN:INN:BAN:JAN] Prestwick0_000090 Pynastin SPBio_001959 SR-01000000027-2 Tox21_500955 NCGC00024925-03 Carvisken CPD000059120 (.+/-.)-Pindolol Decreten (TN) 1-(1H-Indol-4-yloxy)-3-((1-methylethyl)amino)-2-propanol DTXSID8023476 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol(pindolol) Glauco-Visken (TN) 2-Propanol, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)- HMS3259I07 4-(3-(Isopropylamino)-2-hydroxypropoxy)indole IDI1_000837 AB00052072_13 KBioSS_001589 Blockin L MCULE-7764948919 BRD-A97701745-001-05-3 NCGC00015786-08 NCGC00024925-06 P-6820 Pinbetol Pindolol, European Pharmacopoeia (EP) Reference Standard Prestwick3_000090 SBI-0050929.P004 Spectrum3_000547 SR-01000000027-7 Z3376 NCGC00015786-11 CCG-39223 D00513 (rs)-pindolol DL-LB 46 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol EINECS 236-867-9 1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol HMS1568A22 2-Propanol, 1-(4-indolyloxy)-3-(isopropylamino)- HMS3369E14 523P869 KBio2_001589 AKOS015969756 LB-46 Blocklin L MLS002548891 BSPBio_000020 NINDS_000837 PDSP2_000759 Pindolol (JP15/USP/INN) Pindololum Prindolol (TN) SMR000059120 Spectrum_001109 Tox21_110221 NCGC00015786-16 (+-)-Pindolol DB00960 1-((1H-indol-4-yl)oxy)-3-(isopropylamino)propan-2-ol DSSTox_GSID_23476 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol FT-0630406 1-[1H-INDOL-4-YLOXY]-3-[ISOPROPYLAMINO]-2-PROPANOL HMS2091P20 3-indol-4-yloxy-1-[(methylethyl)amino]propan-2-ol HSDB 6539 AB00052072-11 KBio3_001693 Betapindol LP00955 Blocklin-L (TN) NCGC00015786-06 Calvisken Oprea1_770884 Pectobloc (TN) Pindolol [USAN:USP:INN:BAN:JAN] Prestwick1_000090 Pynastin (TN) SPECTRUM1500488 SR-01000000027-4 Visken NCGC00024925-04 Carvisken (TN) CS-4473 (1)-1-(1H-Indol-4-yloxy)-3-(isopropylamino)propan-2-ol DivK1c_000837 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol Durapindol 1-(1H-Indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol Glauco-Viskin 2-Propanol, 1-(1H-indol-4-yloxy)-3-(1-methylethyl)amino- HMS3262P12 5-21-03-00017 (Beilstein Handbook Reference) JZQKKSLKJUAGIC-UHFFFAOYSA-N AC1L1J1N L000006 Blockin L (TN) MFCD00010530 BRD-A97701745-001-09-5 NCGC00015786-09 NCGC00024925-07 PDSP1_000771 Pinbetol (TN) Pindolol, United States Pharmacopeia (USP) Reference Standard Prestwick_397 SC-25688 Spectrum4_000479 ST50319990 [2-hydroxy-3-(1H-indol-4-yloxy)propyl](propan-2-yl)amine NCGC00015786-13 CCRIS 9215 (+-)-4-(2-hydroxy-3-(isopropylamino)propoxy)indole D0F2PO DL-Pindolol 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-propan-2-ol EINECS 244-623-8 1-(4-Indolyloxy)-3-(isopropylamino)-2-propanol HMS1920H16 2-Propanol, 1-(indol-4-yloxy)-3-(isopropylamino)-, (+-)- HMS3712A22 KBio2_004157 AN-18448 LB46 Blocklin L (TN) MolPort-001-792-503 BSPBio_002193 NSC-757276 PDSP2_000760 Pindolol (JP17/USP/INN) Pindololum [INN-Latin] Prinodolol SPBio_001289 SR-01000000027 Tox21_110221_1 NCGC00015786-20 Calvisken (TN) CHEMBL500 (+/-)-Pindolol-d7(iso-propyl-d7) Decreten 1-(1h-indol-4-yloxy)-3-((1-methylethyl)amino)-2-propano DSSTox_RID_77043 1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol((-)-Pindolol) Glauco-visken 13523-86-9 HMS2095A22 4-(2-Hydroxy-3-isopropylaminopropoxy)-indole HY-B0982 AB00052072_12 KBioGR_000958 Betapindol (TN) LS-122385 BPBio1_000022 NCGC00015786-07 NCGC00024925-05 P 0778 Pharmakon1600-01500488 Pindolol, >=98% (TLC), powder Prestwick2_000090 SAM002264631 Spectrum2_001285 SR-01000000027-5 Visken (TN) CAS-13523-86-9 CTK8G2432 (R,S)-PINDOLOL DL-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole 1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol # Durapindol (TN) 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol GTPL91 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]- HMS3267K17 KBio1_000837 AC1Q1QC1 LB 46 Blocklin MLS000069496 BRN 1536506 NCGC00015786-10 NCGC00261640-01 PDSP1_000772 PINDOLOL,(-) Prindolol SCHEMBL5219 Spectrum5_001266 SW196641-3 NCGC00015786-14 CHEBI:8214 (+-)-lb46 1-((1-Methylethyl)amino)-3-(4-indolyloxy)-2-propanol DSSTox_CID_3476 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol EU-0100955 1-(Indol-4-yloxy)-3-(isopropylamino)-2-propanol HMS2089I21 21870-06-4 HMS502J19 AB00052072 KBio2_006725 BDBM50019443 Lopac0_000955 Blocklin-L NC00467 C07445 [ Show all ]
Inchi Key	JZQKKSLKJUAGIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
PubChem CID	4828
ChEMBL	CHEMBL500
IUPHAR	91
BindingDB	50019443
DrugBank	DB00960
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	9332.54 nM	PMID15322733	BindingDB
Ki	9332.54 nM	PMID15322733	PDSP
Ki	10000.0 nM	PMID15322733	IUPHAR

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