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GLASS

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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	Ro 04-6790
Molecular formula	C12H16N6O2S
IUPAC name	4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide
Molecular weight	308.36
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.7
Synonyms	RT-015415 4-Amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide Dihydrobromide Biomol-NT_000164 D0P8JA MFCD11045584 NCGC00162326-02 4-amino-N-(2,6-bis(methylamino)pyrimidin-4-yl)benzenesulfonamide AC1NSM3L CCG-205122 JELFWSXQTXRMAJ-UHFFFAOYSA-N NCGC00015885-01 4-Amino-N-(2-methylamino-pyrimidin-4-yl)-benzenesulfonamide BCP02244 CHEMBL433461 Lopac-R-140 NCGC00015885-04 Ro-046790 SCHEMBL678897 202466-68-0 4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide BPBio1_000551 FT-0748141 MolPort-023-276-598 PDSP1_001376 4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-benzenesulfonamide AKOS024457330 CHEBI:92762 KB-80392 NCGC00015885-02 Ro 4-6790 (4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]-benzenesulfonamide) 4-Amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]-benzenesulfonamide BDBM50090528 CTK8E8508 Lopac0_001045 NCGC00162326-01 Ro04-6790 ZINC23472 BRD-K43290182-001-01-9 GTPL274 N-(2,6-bis(methylamino)pyrimidin-4-yl)-4-aminobenzenesulfonamide PDSP2_001360 4-Amino-N-(2,6-bis-methylamino-pyrimidin-4-yl)-benzenesulfonamide B7216 L000511 NCGC00015885-03 Ro-04-6790 [ Show all ]
Inchi Key	JELFWSXQTXRMAJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
PubChem CID	5312145
ChEMBL	CHEMBL433461
IUPHAR	274
BindingDB	50090528
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>10000.0 nM	PMID12646038	BindingDB

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