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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	D(2) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd2
Synonym	D2 receptor D2(415) and D₂₍₄₄₄₎ D2A and D_2B D2R Dopamine D2 receptor dopamine receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProt	P61169
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	CHEMBL339
IUPHAR	215
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	DSSTox_GSID_22851 FT-0603194 MRF-0000024 SCHEMBL122941 ZINC26185346 2058-52-8 BCP06511 C18H18ClN3S Clothiapine (USAN) Clotiapinum 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 Clotiapina 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 Clotiapine (JAN/INN) 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 Clothiapine [USAN:BAN] Clotiapinum [INN-Latin] 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 Clotiapina [INN-Spanish] DSSTox_CID_2851 Etumine LW 2159 S-805C Z05HCY0X1T 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazepine AN-16597 C-20429 Clotiapine [INN] 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 Clothiapine [USAN] 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 Clotiapine [ 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	4.4 nM	PMID8101877	BindingDB,ChEMBL
Ki	4.467 nM	PMID7907148	ChEMBL
Ki	4.5 nM	PMID7907148	BindingDB

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