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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	urapidil
Molecular formula	C20H29N5O3
IUPAC name	6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
Molecular weight	387.484
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.5
Synonyms	NCGC00178336-01 BPBio1_000826 Prestwick3_000905 C20H29N5O3 SPBio_002949 CS-0009600 STL454353 DSSTox_GSID_21425 Gene therapy (rheumatoid arthritis), Targeted Genetics 2,4(1H,3H)-Pyrimidinedione,6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl- KBio2_001840 6-(3-(4-(2-methoxyphenyl)piperazin-1-yl) L005359 6-[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propylamino]-1,3-dimethyluracil NCGC00016066-02 AB00053328_10 NCGC00016066-10 AKOS015896920 UNII-A78GF17HJS urapidil(jan) AX8156200 NSC-310405 BRD-K73196317-003-07-2 RAAV2-TNFR:Fc CC-35548 Spectrum2_001172 D0K0VO Tocris-1772 Ebrantil 2,3H)-Pyrimidinedione, 6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl- HY-B0716 5-25-15-00402 (Beilstein Handbook Reference) KBio3_002534 6-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione LS-158663 6-[[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil NCGC00016066-05 AB1009497 NCGC00025290-01 Uracil,3-dimethyl-6-[3-[4-(o-methoxyphenyl)-1-piperazinyl]proppylamino]- Urapidilum [INN-Latin] NCGC00025290-04 BCP0726000257 Prestwick1_000905 BSPBio_003034 SMR001831470 Spectrum5_001611 DivK1c_006779 Eupressyl 2,4(1H,3H)-Pyrimidinedione, 6-((3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3-dimethyl- (9CI) K-7882 6-((3-(4-(o-Methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3-dimethyluracil KS-000016PV 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione MolPort-004-964-587 A822334 NCGC00016066-08 AC1Q6CKO Tox21_110298 Urapidil [BAN:INN:JAN] W-106718 AN-6319 NCGC00178336-02 BRD-K73196317-001-02-7 propylamino)-1,3-dimethylpyrimidine- CAS-34661-75-1 SpecPlus_000683 CTK4H2778 TgAAC-94 DSSTox_RID_76154 H964 34661-75-1 KBio2_004408 6-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Lopac-U-100 6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione NCGC00016066-03 AB00053328_11 NCGC00016066-11 URACIL, 1,3-DIMETHYL-6-(3-(4-(o-METHOXYPHENYL)-1-PIPERAZINYL)PROPPYLAMINO)- Urapidil,(S) B-66256 NSC310405 BRN 0725782 SBI-0051232.P003 CCG-40329 Spectrum3_001557 D0M8BE Ebrantil (TN) 2,4(1H,3H)-dione I07-0038 6-((3-(4- (2-methoxyphenyl)-1-piperazinyl)propyl)amino)- 1,3-dimethyl-2,4(1H,3H)-pyrimidinedione KBioGR_000925 6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylamino]-1,3-dimethylpyrimidine-2,4-dione Mediatensyl 661U751 NCGC00016066-06 AC-8246 NCGC00025290-02 Uraprene NCGC00025290-05 BCPP000025 Prestwick2_000905 C-21481 SPBio_001183 CHEMBL279229 Spectrum_001360 DSSTox_CID_1425 FT-0639207 2,4(1H,3H)-Pyrimidinedione, 6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl- KBio1_001723 6-((3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl)amino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione # KS-5208 6-[3-[4-(2-Methoxyphenyl)piperazinyl]propylamino]-1,3-dimethyluracil NCGC00016066-01 AAV-huTNFR:Fc NCGC00016066-09 AK163085 U0085 Urapidil [INN:BAN:JAN] ZINC1544805 API0004555 NSC 310405 BRD-K73196317-003-03-1 RAAV-TNF, Targeted Genetics CAS-64887-14-5 SPECTRUM1503100 D01333 TgAAV-TNFR:Fc DTXSID9021425 1,3-dimethyl-6-[(3-{4-[2-(methyloxy)phenyl]piperazin-1-yl}propyl)amino]pyrimidine-2,4(1H,3H)-dione HMS1922E11 4CA-1304 KBio2_006976 6-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propylamino)-1,3-dimethyluracil Lopac0_001265 6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil NCGC00016066-04 AB00514699 NCGC00016066-16 Uracil, 1,3-dimethyl-6-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propylamino)- Urapidilum NCGC00025290-03 BCP02494 Prestwick0_000905 BSPBio_000750 SCHEMBL48992 CHEBI:32278 Spectrum4_000233 DB12661 EINECS 252-130-4 2,4(1H,3H)-Pyrimidinedione, 6-((3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3-dimethyl- ICMGLRUYEQNHPF-UHFFFAOYSA-N 6-((3-(4-(2-Methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione KBioSS_001840 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-dione MLS003115907 A78GF17HJS NCGC00016066-07 AC1L1KST Urapidil (JP17/INN) VZ34075 [ Show all ]
Inchi Key	ICMGLRUYEQNHPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
PubChem CID	5639
ChEMBL	CHEMBL279229
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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