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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	1-(3-Chlorophenyl)piperazine
Molecular formula	C10H13ClN2
IUPAC name	1-(3-chlorophenyl)piperazine
Molecular weight	196.678
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.7
Synonyms	Tocris-0875 Biomol-NT_000129 DB12110 FT-0605615 Lopac0_000245 (3-chlorophenyl)piperazine MolPort-000-153-472 NCGC00015247-05 3-chlorophenylpiperazine PDSP1_000002 AB0018971 RL04537 AN-16609 BB 0254666 TR-022485 BRD-K75844781-003-03-1 CTK3J7824 DSSTox_RID_80696 KB-08690 m-chlorophenylpiperazine (m-CPP) 1-(3-Chloro Phenyl)Piperazine N-(m-Chlorophenyl)piperazine 1-3-CPP NCGC00024836-02 4-(m-chlorophenyl)piperazine Piperazine, (3-chlorophenyl)- AC1Q3K46 SCHEMBL48931 STK397316 BCP15052 W-104754 CCG-204340 DB-024578 EINECS 229-654-7 L000009 (3-chloro-phenyl)-piperazine meta chlorophenyl piperazine 1-(3-Chlorophenyl)-piperazine NCGC00015247-03 NSC-49307 6640-24-0 R1689 AKOS000101295 AN-7476 Tox21_110110 BPBio1_000067 CHEMBL478 DSSTox_CID_25138 GF-0110 LS-107647 (m-CPP) N-(3-Chlorophenyl)piperazine 1-(3-Chlorophenyl)piperazine (MCPP) NCGC00015247-07 4-(3-chlorophenyl)-piperazine PDSP2_000002 AC-23379 RTR-022485 BBL008938 UNII-REY0CNO998 C11738 D0J6JT DTXSID9045138 KS-0000021N m-CPP 1-(3-chloro-phenyl)-piperazine NCGC00015247-01 1-M-Chlorophenyl Piperazine Metabolite NCGC00024836-03 Piperazine, 1-(3-chlorophenyl)- AJ-08201 ST2403154 T993 BDBM50001915 ZINC4285 CHEBI:10588 F2190-0347 Lopac-C-5554 (3-chlorophenyl)-piperazine meta-chlorophenylpiperazine 1-(3-chlorophenyl)-piperazine (m-CPP) NCGC00015247-04 3-Chlorophenyl piperazine NSC49307 A8960 REY0CNO998 ALBB-005970 ANW-45669 Tox21_110110_1 BRD-K75844781-001-01-9 CS-D0555 DSSTox_GSID_45138 GTPL142 m-Chlorophenylpiperazine N-(m-chlorophenyl)-piperazine 1-(m-Chlorophenyl)piperazine NCGC00024836-01 4-(3-Chlorophenyl)piperazine PIP086 AC1L1BAK SBB003579 ST45255371 BC205297 VHFVKMTVMIZMIK-UHFFFAOYSA-N CAS-6640-24-0 D0S5FQ EC 229-654-7 KSC497Q2J MCULE-2169847421 1-(3-Chlorophenyl) piperazine NCGC00015247-02 13078-15-4 (mono-hydrochloride) NSC 49307 51639-49-7 (di-hydrochloride) Piperazine, 1-(m-chlorophenyl)- AJ-333/09217060 [ Show all ]
Inchi Key	VHFVKMTVMIZMIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
PubChem CID	1355
ChEMBL	CHEMBL478
IUPHAR	142
BindingDB	50001915
DrugBank	DB12110
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	7.2 nM	PMID23537943	ChEMBL
EC50	63.1 nM	PMID18095642	ChEMBL
EC50	75.0 nM	PMID16257207, PMID15081042	BindingDB,ChEMBL
EC50	167.0 nM	PMID19716297	BindingDB,ChEMBL
EC50	251.0 nM	PMID27864071	BindingDB
EC50	251.19 nM	PMID27864071	ChEMBL
EC50	290.0 nM	PMID20022752, PMID17315987	BindingDB,ChEMBL
Efficacy	41.0 %	PMID16257207	ChEMBL
Emax	12.0 %	PMID27864071	ChEMBL
Emax	58.0 %	PMID19716297	ChEMBL
Intrinsic activity	0.3 -	PMID20022752	ChEMBL
Ki	25.0 nM	PMID27864071	BindingDB
Ki	25.12 nM	PMID27864071	ChEMBL
Ki	31.6228 - 158.489 nM	PMID15322733, PMID8534270, PMID9933142	IUPHAR
Ki	48.0 nM	PMID20022752, PMID17315987	BindingDB,ChEMBL
Ki	50.11 nM	PMID7582481	PDSP,BindingDB
Ki	54.0 nM	PMID16257207, PMID15081042	PDSP,BindingDB,ChEMBL
Ki	54.95 nM	PMID15322733	BindingDB
Ki	54.9541 nM	PMID15322733	PDSP
Ki	74.0 nM	PMID10611640	PDSP,BindingDB
Ki	85.0 nM	PMID14709324	PDSP,BindingDB
Ki	112.2 nM	PMID9225287	PDSP,BindingDB
Ki	196.4 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	212.0 nM	PMID10611640	PDSP,BindingDB
Ki	223.87 nM	PMID10498829	BindingDB
Ki	223.872 nM	PMID10498829	PDSP
Ki	241.13 nM	Hamik & Peroutka, PMID1989	PDSP
Ki	273.0 nM	PMID26748694	BindingDB,ChEMBL
Ki	398.1 nM	PMID7582481	PDSP,BindingDB
Relative efficacy	41.0 %	PMID15081042	ChEMBL