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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Clothiapine
Molecular formula	C18H18ClN3S
IUPAC name	8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
Molecular weight	343.873
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.6
Synonyms	Clotiapine (JAN/INN) Dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- Entumine LS-61278 PDSP2_000467 W 130 2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine AKOS005065858 BRN 0568276 CHEMBL304902 Clothiapine [USAN:BAN] Clotiapinum [INN-Latin] DSSTox_RID_76758 HF 2159 NCGC00160387-01 SR-05000001467 (E)-2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine BDBM50040237 CAS-2058-52-8 Clotiapina [INN-Spanish] D0PX8L Entumin J-013441 NCGC00160387-04 Tox21_111779_1 2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]thiazepine AB01275460-01 BRD-K10990317-001-01-1 CHEBI:31424 Clotiapine [INN] DSSTox_CID_2851 Etumine LW 2159 S-805C Z05HCY0X1T 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazepine AN-16597 C-20429 Clothiapine [USAN] CTK8F8741 DTXSID5022851 HF-2159 NCGC00160387-02 SR-05000001467-1 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine 8-chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzothiazepine Biomol-NT_000008 CC-25941 Clotiapine DIBENZO(b,f)(1,4)THIAZEPINE, 2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)- Entumin (TN) KAAZGXDPUNNEFN-UHFFFAOYSA-N PDSP1_000469 UNII-Z05HCY0X1T 2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]thiazepine(clothiapine) AC1L27RX BRD-K10990317-001-02-9 Clotiapinum DSSTox_GSID_22851 FT-0603194 MRF-0000024 SCHEMBL122941 ZINC26185346 2058-52-8 BCP06511 C18H18ClN3S Clothiapine (USAN) Clotiapina D01597 EINECS 218-162-8 HMS2089L15 NCGC00160387-03 Tox21_111779 2-chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine BPBio1_001137 CHEBI:108591 [ Show all ]
Inchi Key	KAAZGXDPUNNEFN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
PubChem CID	16351
ChEMBL	CHEMBL304902
IUPHAR	N/A
BindingDB	50040237
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	0.79 nM	PMID7908055	BindingDB

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