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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
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	CHEMBL322
IUPHAR	6
DrugBank	N/A

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	CCG-204548 NCGC00024877-02 Sch 23388 UGT5535REQ 87075-17-0 CHEMBL62 PDSP1_000615 SCH 23390,R(+) 1H-3-Benzazepin-7-ol, 2,3,4,5-tetrahydro-8-chloro-3-methyl-5-phenyl-, (R)- Biomol-NT_000016 BRD-K45435259-003-03-8 Lopac0_000456 PDSP2_001507 SCHEMBL2916216 8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol(SCH 23390) CHEBI:92798 NCGC00024877-03 SCH 23390 (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol AC1MI1XB CTK3F0072 PDSP1_001523 SCH-23390 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (R)- BPBio1_001173 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 NCGC00024877-04 SCH 23390 (R-enantiomer) ZINC2017838 (R)-2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol BDBM82247 BRD-K45435259-001-01-6 GOTMKOSCLKVOGG-OAHLLOKOSA-N PDSP2_000612 SCH23390 2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol (R)- [ 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	<10000.0 nM	PMID1397049	BindingDB
Ki	10.8 nM	PMID10843230	ChEMBL
Ki	11.0 nM	PMID10843230	BindingDB
Ki	12.2 nM	PMID9686407	BindingDB
Ki	13.1 nM	PMID2905002	BindingDB
Ki	19.9 nM	PMID1347569	BindingDB
Ki	37.0 nM	PMID1397049, PMID7855175	BindingDB

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