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GLASS

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GPCR

Name	Thyrotropin receptor
Species	Homo sapiens (Human)
Gene	TSHR
Synonym	LGR3 Thyroid-stimulating hormone receptor Thyrotropin Receptor TSH receptor TSH-R
Disease	Thyroid cancer diagnosis Diagnostic test to differentiate primary and secondary hypothyroidism Thyroid cancer
Length	764
Amino acid sequence	MRPADLLQLVLLLDLPRDLGGMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNPQYNPGDKDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHDMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVL
UniProt	P16473
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T60606
ChEMBL	CHEMBL1963
IUPHAR	255
DrugBank	N/A

Ligand

Name	xylazine
Molecular formula	C12H16N2S
IUPAC name	N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Molecular weight	220.334
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.8
Synonyms	NSC758142 BRD-K21565985-001-05-0 Primazine CHEBI:92386 Sedomin DivK1c_000449 Spectrum4_000239 HMS1569H18 HMS501G11 2-(2,6-Dimethylphenylamino)-4H-5,6-dihydro-1,3-thiazine KBio3_002523 4H-1,3-Thiazin-2-amine,N-(2,6-dimethylphenyl)-5,6-dihydro- Lopac0_001249 AB00052246-13 NCGC00016098-01 AJ-08151 NCGC00016098-09 BC252840 Xylazinum SR-01000075296-4 Xilazina BCP0726000235 Prestwick0_000598 BSPBio_003023 Rompun (Salt/Mix) CS-2549 SPBio_001315 DSSTox_RID_79519 SR-01000075296 HMS2092L07 (5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(2,6-dimethyl-phenyl)-amine IDI1_000449 23076-35-9 (mono-hydrochloride) KM1558 4H-1,3-Thiazine-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro- (9CI) MLS000054617 AB00052246_17 NCGC00016098-04 Anased NCGC00038586-03 xylazine free base ZINC2248 Tox21_110303_1 Xylapan (Salt/Mix) NINDS_000449 BPBio1_000524 Prestwick3_000598 CCG-39193 SC-47279 D0Y2JI Spectrum2_001448 FT-0654963 HMS3369L20 2,6-Xylidine, N-(5,6-dihydro-4H-1,3-thiazinyl)- KBio2_004315 361X617 L001033 N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine AC-22589 NCGC00016098-07 BAY-VA-1470 Xylazine(Rompun) WH 7286 Xylaxine BCBcMAP01_000167 Opera_ID_1260 BRD-K21565985-001-15-9 Rometar SMP1_000319 DSSTox_CID_20643 Spectrum5_001250 HMS1921P17 (2,6-Dimethyl-phenyl)-[1,3]thiazinan-2-ylidene-amine HY-B0443 2-(2,6-Dimethylphenylamino)-5,6-dihydro-4H-thiazine hydrochloride KBioGR_000937 4H-1,3-Thiazine, 5,6-dihydro-2-(2,6-xylidino)- LS-150494 AB00052246-15 NCGC00016098-02 AK117805 NCGC00016098-11 Xylazine (free base) Xylazinum [INN-Latin] SR-01000075296-6 Xilazina [INN-Spanish] BDBM50027069 Prestwick1_000598 C-46044 SBB038475 CTK5D8365 SPBio_002695 DTXSID3040643 HMS2096H18 (5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(2,6-dimethyl-phenyl)-amine;N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine KBio1_000449 29335-81-7 KS-00000H9L 5,6-Dihydro-2-(2,6-xylidino)-4H-1,3-thiazine MLS000881122 AB00052246_18 NCGC00016098-05 AS-54468 NCGC00038586-04 Xylazine [USAN:INN:BAN] TRA0042707 Xylasol NSC-758142 BPICBUSOMSTKRF-UHFFFAOYSA-N Prestwick_962 Chanazine (TN) SCHEMBL15487 Spectrum3_001472 GTPL523 HMS3713H18 2-(2,6-Dimethylanilino)-5,6-dihydro-4H-1,3-thiazine KBio2_006883 4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro- Lopac-X-1251 7361-61-7 Narcoxyl AC1L1KYH NCGC00016098-08 Bayer 1470 Xylazin Xylazine, >=99% X5891 BCP03045 Pharmakon1600-01501200 BSPBio_000476 Rompun CHEMBL297362 SMR000061135 DSSTox_GSID_40643 Spectrum_001267 HMS2089E20 (2,6-dimethylphenyl)-4,5-dihydro-6H-1,3-thiazin-2-ylamine I06-1056 2-[2,6-Dimethylphenylamino]-4H-5,6-dihydroxthiazine KBioSS_001747 4H-1,3-Thiazine-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro- MFCD00057908 AB00052246-16 NCGC00016098-03 AKOS000115960 NCGC00038586-02 Xylazine (USP/INN) Xylzin Tox21_110303 Xylapan NCGC00038586-05 BDBM50225286 Prestwick2_000598 CAS-7361-61-7 SBI-0051216.P003 D08683 SPECTRUM1501200 EINECS 230-902-1 HMS2232F24 KBio2_001747 2KFG9TP5V8 KSC638G6L MolPort-000-869-370 AB2000618 NCGC00016098-06 BAY 1470 Xylazine [USP:INN:BAN] UNII-2KFG9TP5V8 Xylasol (Salt/Mix) [ Show all ]
Inchi Key	BPICBUSOMSTKRF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
PubChem CID	5707
ChEMBL	CHEMBL297362
IUPHAR	523
BindingDB	50027069
DrugBank	DB11477
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	31622.8 nM	PubChem BioAssay data set	ChEMBL

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