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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	VERAPAMIL
Molecular formula	C27H38N2O4
IUPAC name	2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular weight	454.611
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	AB00053495_21 KBio3_000466 EINECS 200-145-1 Verapamilo [INN-Spanish] alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile Lekoptin GTPL2406 Verexamil Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)- NCGC00016083-06 Iproveratril Bio2_000713 NCGC00016083-15 (+-)-Verapamil BSPBio_002358 NCGC00024710-07 .alpha.-((N-Methyl-N-homoveratryl)-.gamma.-aminopropyl)-3,4-dimethoxyphenylacetonitrile Calcan NSC 272306NA 1394-EP2277872A1 CHEBI:77733 Quasar 1394-EP2301931A1 Covera-hs (TN) SMR001550201 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile D 365 Tarka 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile KBio1_000399 Dilacoran Verapamil AL Akilen KBioGR_001372 Falicard Veraptin API0004584 MCULE-3016077278 HMS2089H17 Berkatens NCGC00016083-09 BPBio1_000268 NCGC00016083-18 (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile C27H38N2O4 NCGC00344584-01 1394-EP2272841A1 CAS-52-53-9 Nu-Verap 1394-EP2298764A1 cMAP_000023 SC-17292 1394-EP2314585A1 CP-16,533-1 Spectrum2_001740 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile Isoptin SR D0R0FE Univer 56949-77-0 KBio2_002801 Drosteakard DSSTox_RID_79636 VERAPAMIL, Dexverapamil, Verapamyl hydrochloride, VERAPAMIL HYDROCHLORIDE alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile KBioSS_002346 FT-0603225 Verelan (TN) BDBM81939 NCGC00016083-04 IDI1_000399 Bio1_001403 NCGC00016083-13 BSPBio_000242 NCGC00024710-05 (A+/-)-Verapamil hydrochloride Calan (TN) Novo-Veramil 1394-EP2275420A1 CCG-205311 Prestwick2_000141 1394-EP2298779A1 Covera-HS Securon 2-(3,4-Dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)(methyl)amino)-2-isopropylpentanenitrile, (+/-)- CP-165331 / CP-16533-1 ST50826367 5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile Izoptin delta-365 Veracim AB00053495 KBio2_007479 AC-16016 KBio3_002823 EINECS 260-462-6 Verapamilum AN-41629 Lopac0_001237 HMS1791L15 Verpamil Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)- NCGC00016083-07 Isoptimo Bosoptin (TN) NCGC00016083-16 (+/-) verapamil C-22537 NCGC00024710-08 1007128-78-0 Cardiagutt NSC272366 1394-EP2280008A2 r,s-verapamil 1394-EP2301936A1 CP 16533-1 SPBio_001820 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile Isoptin (Salt/Mix) D-365 Tox21_110300 52-53-9 KBio2_000233 DivK1c_000399 Verapamil (Na-Ca chanel blocker) DSSTox_CID_21152 Verapamil [USAN:BAN:INN] Akilen (Salt/Mix) KBioGR_002343 Finoptin vera\|A Apo-Verap MLS006011414 HMS3402L15 Bio1_000425 NCGC00016083-10 BRD-A09533288-001-02-7 NCGC00016083-20 (2R)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile Calan NCI60_020143 1394-EP2272972A1 CAS_52-53-9 Prestwick0_000141 1394-EP2298765A1 Cordilox SCHEMBL13287282 1394-EP2316832A1 CP-16533-1 Spectrum4_000906 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]methylamino}-2-(methy lethyl)pentanenitrile Isoptine Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl- 7482-85-1 KBio2_004911 KBio3_000465 DTXSID9041152 Verapamilo alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile L001330 Geangin Verelan PM Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)- NCGC00016083-05 IDI1_033983 Bio2_000233 NCGC00016083-14 BSPBio_001513 NCGC00024710-06 (R)-(+)-Verapamil Hydrochloride Calan SR NSC 135784 1394-EP2277865A1 CCRIS 6749 Prestwick3_000141 1394-EP2301923A1 Covera-HS (Salt/Mix) SGTNSNPWRIOYBX-UHFFFAOYSA-N 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile CTK8D7130 STK538085 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile KB-243163 Dignover Veramex AB00053495-20 AC1L1DV5 KBioGR_000233 F2173-0851 Verapamilum [INN-Latin] Ansyr LS-174 HMS1989L15 Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+-)- NCGC00016083-08 Isoptin BP-21223 NCGC00016083-17 (+/-)-VERAPAMIL C07188 NCGC00024710-09 1394-EP2270011A1 Cardibeltin NSC_62969 1394-EP2298742A1 CHEMBL6966 SBI-0051204.P003 1394-EP2305648A1 CP 16533-1 (Verapamil) SPBio_002181 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropylpentanenitrile # Isoptin (TN) D02356 Tox21_110300_1 52V114 KBio2_002343 dl-Verapamil Verapamil (USAN/INN) DSSTox_GSID_41152 Verapamil [USAN:INN:BAN] AKOS005468962 KBioSS_000233 FT-0080127 Verelan Arpamyl MolPort-000-721-258 I06-0063 Bio1_000914 NCGC00016083-11 BRD-A09533288-003-05-6 NCGC00024710-04 (?)-alpha-[3-[[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino]propyl]-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile Calan (Salt/Mix) NINDS_000399 1394-EP2272973A1 CC-35584 Prestwick1_000141 1394-EP2298776A1 Cordilox (Salt/Mix) SCHEMBL16742 1394-EP2316833A1 CP-165331 Spectrum5_001786 36622-29-4 Isotopin DB00661 Vasolan KBio2_005369 [ Show all ]
Inchi Key	SGTNSNPWRIOYBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
PubChem CID	2520
ChEMBL	CHEMBL6966
IUPHAR	N/A
BindingDB	81939
DrugBank	DB00661
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	442.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	126.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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