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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

Ligand

Name	120-78-5
Molecular formula	C14H8N2S4
IUPAC name	2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
Molecular weight	332.472
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.6
Synonyms	Dibenzothiazolyl disulphide 2,2'-Dithiobis[benzothiazole] DSSTox_RID_75399 2-Benzothiazyl disulfide Epitope ID:138947 AC1Q7EA9 MCULE-7679734602 Altax NCGC00091238-01 Benzothiazole, 2,2'-dithiobis- Perkacit MBTS Bis(2-benzothiazyl) disulfide SCHEMBL23527 BRN 0285796 (benzothiazol-2-yl) disulphide CHEBI:53239 2,2 inverted exclamation marka-Dithiobis(benzothiazole) di(benzothiazol-2-yl) disulfide 2,2'-Dithio(bis)benzothiazole Tox21_111106 Vulkacit DM/C 2,2'-Dithiobis(benzothiazole) Dibenzthiazyl disulfide 2,2-Dithiobisbenzothiazole Dwusiarczek dwubenzotiazylu [Polish] 258278-97-6 KB-10060 AFZSMODLJJCVPP-UHFFFAOYSA-N Mercaptobenzothiazyl disulfide ANW-17530 NSC 2 Benzothiazolyl disulfide RL00869 bis(benzothiazole-2-yl)disulfide C14H8N2S4 109767-80-8 CJ-24370 2,2'-Dibenzothiazolyl disulfide Di-2-benzothiazolyl disulfide ST2401714 UNII-6OK753033Z WLN: T56 BN DSJ CSS-CT56 BN DSJ Dibenzothiazole disulfide 2,2'-Dithiobisbenzothiazole DSSTox_CID_146 2-(1,3-benzothiazol-2-yldithio)-1,3-benzothiazole Ekagom GS AC-11588 MBTS disulfide AK157732 N070 Benzothiazole disulfide NSC2 BI-87F4 Sanceler DM bis-(benzothiazol-2-yl) disulphide CC-06551 186983-60-8 D0538 2,2'-Dibenzothiazyldisulfide Thiofide Vulcafor MBTS Dibenzothiazyl disulfide 2,2-dithio-bis-benzothiazole DTXSID1020146 2-Mercaptobenzothiazole disulfide FT-0609300 Accel TM Mercaptobenzothiazole disulfide AM91095 NCGC00091238-02 Benzothiazole, dithiobis- Pneumax DM bis(benzothiazol-2-yl)disulphide SR-01000944767 BTS-SBT 1,2-bis(benzo[d]thiazol-2-yl)disulfane 2,2'-Benzothiazyl disulfide Di(benzothiazol-2-yl) disulphide 2,2'-Dithio-bis-benzothiazole Tox21_111106_1 Vulkacit dm/mgc 2,2'-Dithiobis(benzothiazole), 99% dibenzthiazyl disulphide 2-(1,3-Benzothiazol-2-yldisulfanyl)-1,3-benzothiazole EC 204-424-9 4-27-00-01862 (Beilstein Handbook Reference) LS-636 AI3-07662 Mercaptobenzthiazyl ether BDBM50444458 NSC-2 Benzothiazyl disulfide Royal MBTS Bis(benzothiazolyl) disulfide CAS-120-78-5 CS-W009852 2,2'-Dibenzothiazoyl disulfide dibenzo thiazyl disulfide ST50925639 USAF CY-5 ZINC1555224 Dibenzothiazolyl disulfide 2,2'-dithiobisbenzthiazole DSSTox_GSID_20146 2-Benzothiazolyl disulfide EPA Pesticide Chemical Code 009202 AC1L1R0S MBTS rubber accelerator AKOS001022311 Naugex MBT Benzothiazole, 2,2'-dithiobis OR70127 Bis(2-benzothiazolyl) disulfide SBB006534 bis-(benzothiazol-2-yl)disulphide (benzothiazol-2-yl) disulfide CCRIS 4637 2,2 -Dithiobis(benzothiazole) di(1,3-benzothiazol-2-yl) disulfide 2,2'-disulfanediylbis(1,3-benzothiazole) TL8000547 Vulkacit DM Dibenzoylthiazyl disulfide 2,2-dithiobis(benzothiazole) Dwusiarczek dwubenzotiazylu 2-Mercaptobenzothiazyl disulfide HSDB 1137 ACN-028578 Mercaptobenzothiazolyl ether AN-22833 NCGC00091238-03 Benzothiazole,2'-dithiobis- PubChem23811 Bis(benzothiazole-2-yl) disulfide C-34476 1,2-di(benzo[d]thiazol-2-yl)disulfane CHEMBL508112 2,2'-Bis(benzothiazolyl) disulfide Di-(benzothiazol-2-yl)-disulfide 2,2'-Dithiobis(1,3-benzothiazole) SR-01000944767-1 TR-003429 W-200947 2,2'-Dithiobis-benzothiazole Dithiobis(benzothiazole) 2-(1,3-Benzothiazol-2-yldisulfanyl)-1,3-benzothiazole # EINECS 204-424-9 6OK753033Z MBTS AJ-26900 MolPort-000-631-946 Benzothiazol-2-yl disulfide NSC-677459 Benzthiazole disulfide RTR-003429 bis-(benzothiazol-2-yl) disulfide Caswell No. 408A 137497-18-8 CTK5J7089 2,2'-DIBENZOTHIAZYL DISULFIDE dibenzothiazol-2-yl disulfide STK171119 USAF EK-5432 [ Show all ]
Inchi Key	AFZSMODLJJCVPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
PubChem CID	8447
ChEMBL	CHEMBL508112
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1658.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	241.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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