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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	Piperazine, 1-(3-chlorophenyl)- AJ-08201 ST2403154 BBL008938 UNII-REY0CNO998 C11738 D0J6JT DTXSID9045138 KS-0000021N m-CPP 1-(3-chloro-phenyl)-piperazine NCGC00015247-01 1-M-Chlorophenyl Piperazine Metabolite NCGC00024836-03 NSC49307 A8960 REY0CNO998 ALBB-005970 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 4-(3-Chlorophenyl)piperazine PIP086 AC1L1BAK SBB003579 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 NSC 49307 51639-49-7 (di-hydrochloride) Piperazine, 1-(m-chlorophenyl)- AJ-333/09217060 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) PDSP1_000002 AB0018971 RL04537 AN-16609 Tocris-0875 Biomol-NT_000129 DB12110 FT-0605615 Lopac0_000245 (3-chlorophenyl)piperazine MolPort-000-153-472 NCGC00015247-05 3-chlorophenylpiperazine 4-(m-chlorophenyl)piperazine Piperazine, (3-chlorophenyl)- AC1Q3K46 SCHEMBL48931 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 NSC-49307 6640-24-0 R1689 AKOS000101295 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 PDSP2_000002 AC-23379 RTR-022485 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 [ 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
	N/A	N/A	DrugBank
EC50	7.943 nM	PMID18095642	ChEMBL
EC50	8.1 nM	PMID23537943	ChEMBL
EC50	12.59 nM	PMID27864071	ChEMBL
EC50	13.0 nM	PMID27864071	BindingDB
EC50	15.0 nM	PMID20022752, PMID17315987	BindingDB,ChEMBL
EC50	26.0 nM	PMID16257207, PMID15081042	BindingDB,ChEMBL
EC50	170.0 nM	PMID19646865, PMID19716297	BindingDB,ChEMBL
Efficacy	83.0 %	PMID16257207	ChEMBL
Emax	71.0 %	PMID19646865, PMID19716297	ChEMBL
Emax	90.0 %	PMID27864071	ChEMBL
Intrinsic activity	1.0 -	PMID20022752	ChEMBL
Ki	3.16228 - 316.228 nM	PMID15322733, PMID9933142, PMID12970106, PMID10217294, PMID10611640, PMID14709324	IUPHAR
Ki	7.9 nM	PMID27864071	BindingDB
Ki	7.943 nM	PMID27864071	ChEMBL
Ki	9.0 nM	PMID16257207, PMID15081042	PDSP,BindingDB,ChEMBL
Ki	14.1254 nM	PMID15322733	PDSP
Ki	14.13 nM	PMID15322733	BindingDB
Ki	16.0 nM	PMID14709324	PDSP,BindingDB
Ki	17.0 nM	PMID20022752, PMID17315987	BindingDB,ChEMBL
Ki	27.7 nM	PMID26748694	ChEMBL
Ki	28.0 nM	PMID26748694	BindingDB
Ki	81.28 nM	PMID10498829	BindingDB
Ki	81.2831 nM	PMID10498829	PDSP
Ki	85.11 nM	PMID11882920	BindingDB
Ki	85.1138 nM	PMID11882920	PDSP
Ki	104.71 nM	PMID9225287	PDSP,BindingDB
Ki	251.18 nM	PMID7582481	PDSP,BindingDB
Ki	360.0 nM	PMID2537663	BindingDB
Relative efficacy	83.0 %	PMID15081042	ChEMBL

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