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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Rattus norvegicus (Rat)
Gene	Htr2c
Synonym	5-HT-1C serotonin 1c receptor HTR1C 5-hydroxytryptamine receptor 1C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-HTR2C 5-HT2C receptor 5-HT2C 5-HT1C 5-HT-2C serotonin receptor 2C [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MVNLGNAVRSLLMHLIGLLVWQFDISISPVAAIVTDTFNSSDGGRLFQFPDGVQNWPALSIVVIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDESKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYFLTIYVLRRQTLMLLRGHTEEELANMSLNFLNCCCKKNGGEEENAPNPNPDQKPRRKKKEKRPRGTMQAINNEKKASKVLGIVFFVFLIMWCPFFITNILSVLCGKACNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSKYLRCDYKPDKKPPVRQIPRVAATALSGRELNVNIYRHTNERVARKANDPEPGIEMQVENLELPVNPSNVVSERISSV
UniProt	P08909
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL324
IUPHAR	8
DrugBank	BE0004882

Ligand

Name	UNII-UGT5535REQ
Molecular formula	C17H18ClNO
IUPAC name	(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular weight	287.787
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.0
Synonyms	87075-17-0 CCG-204548 NCGC00024877-02 Sch 23388 UGT5535REQ 1H-3-Benzazepin-7-ol, 2,3,4,5-tetrahydro-8-chloro-3-methyl-5-phenyl-, (R)- Biomol-NT_000016 CHEMBL62 PDSP1_000615 SCH 23390,R(+) 8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol(SCH 23390) BRD-K45435259-003-03-8 Lopac0_000456 PDSP2_001507 SCHEMBL2916216 (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol AC1MI1XB CHEBI:92798 NCGC00024877-03 SCH 23390 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (R)- BPBio1_001173 CTK3F0072 PDSP1_001523 SCH-23390 CAS_87134-87-0 NCGC00024877-01 r-(+)-7-chloro-8-hydroxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine Tocris-0925 ZINC2017838 (R)-2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol BDBM82247 NCGC00024877-04 SCH 23390 (R-enantiomer) 2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol (R)- BRD-K45435259-001-01-6 GOTMKOSCLKVOGG-OAHLLOKOSA-N PDSP2_000612 SCH23390 [ Show all ]
Inchi Key	GOTMKOSCLKVOGG-OAHLLOKOSA-N
Inchi ID	InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PubChem CID	3036864
ChEMBL	CHEMBL62
IUPHAR	N/A
BindingDB	82247
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	12.51 nM	PMID10843230	ChEMBL
Ki	13.0 nM	PMID10843230	BindingDB
Ki	13.4 nM	PMID1347569	BindingDB
Ki	13.48 nM	PMID7984267	BindingDB
Ki	51.0 nM	PMID9686407	BindingDB

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