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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	flumazenil
Molecular formula	C15H14FN3O3
IUPAC name	ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular weight	303.293
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.0
Synonyms	AB00572626_15 GTPL4192 AN-6313 HMS3393D17 BPBio1_001190 Lopac-F-6300 CHEBI:5103 MLS000759529 D0D5GD NCGC00015439-04 ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate NCGC00025116-02 Ethyl 8-fluoro-5-methyl-5,6-dihydro-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate Opera_ID_1516 F-145 Flumazenil [USAN:BAN:INN] 8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Flumazepil SR-01000075879-3 Tox21_500506 [11C]flumazenil Ro-15-1788 s1332 Flumenazil AC1L1FSE HMS2089B15 AS-13923 I01-0379 BRN 4763661 LS-77778 CPD000058450 MolPort-003-666-855 DSSTox_GSID_23064 NCGC00015439-07 Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate NCGC00025116-05 Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate Pharmakon1600-01505701 Flumazenil (JAN/USP/INN) 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester Flumazenil, United States Pharmacopeia (USP) Reference Standard A839484 SW197598-2 UPCMLD-DP137:001 Ro-151788000 SC-15263 AB00572626-13 fumazenil AJ-08034 HMS3267P09 BIDD:GT0766 KS-00000XSM CAS-78755-81-4 MFCD00242764 D00697 NCGC00015439-02 ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0(2),]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate NCGC00015439-11 Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylate NSC759193 EU-0100506 Flumazenil (transdermal patch formulation), Coeruleus 755F814 Flumazenilum SR-01000075879 Tox21_110148 ZB000344 Ro 15-1788/000 Romazicon Flumazepil;Ro 15-1788;Anexate;Lanexat;Mazicon;Roma AB2000052 GTPL4367 Anexate HMS3657K11 BRD-K98769987-001-01-3 Lopac0_000506 MLS001076354 DB01205 NCGC00015439-05 ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate NCGC00025116-03 ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate PDSP1_001778 F0958 Flumazenil [USAN:USP:INN:BAN] 8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, ethyl ester SR-01000075879-7 UNII-40P7XK9392 [11C]flumazenil (PET ligand) Ro-15-1788/000 SAM001246763 FlumUP TD AC1Q33UE HMS2234F06 BCP07573 IMI061 C07825 Mazicon CS-0629 NC00218 DSSTox_RID_76860 NCGC00015439-08 Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a] [1,4]benzodiazepine-3-carboxylate NCGC00261191-01 Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Flumazenil (Ro 15-1788) 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8- fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester Flumazenilo AB0014201 SCHEMBL79030 TL8005362 W-5096 Q-201122 Ro15-1788 AB00572626_14 FYP AKOS015888159 HMS3374E10 Biomol-NT_000285 Lanexat CCG-100968 MLS000028850 D02MTS NCGC00015439-03 ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0;{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate NCGC00025116-01 Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate OFBIFZUFASYYRE-UHFFFAOYSA-N F 6300 Flumazenil authentic 78755-81-4 Flumazenilum [Latin] SR-01000075879-1 Tox21_110148_1 ZINC1464 Ro 151788 Romazicon (TN) Flumazil AC-6846 HMS2051D17 AOB5595 HY-B0009 BRD-K98769987-001-12-0 LP00506 CHEMBL407 MLS001424108 DSSTox_CID_3064 NCGC00015439-06 ethyl 8-fluoranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate NCGC00025116-04 ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate. PDSP2_001761 40P7XK9392 Flumazenil, >99% (HPLC), solid 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester ST24047162 UPCMLD-DP137 [3H]Ro15-1788 RO-151788 SBI-0050490.P002 AB00572626-12 FT-0630863 AFC-3002 HMS3261F13 BDBM26263 K393 C15H14FN3O3 MCULE-2830706565 CTK8F9785 NCGC00015439-01 DTXSID2023064 NCGC00015439-09 ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]-benzodiazepine-3-carboxylate NSC-759193 Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate # Flumazenil (transdermal patch formulation) 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester Flumazenilo [Spanish] SMR000058450 Tocris-1328 Z1551429735 Ro 15-1788 Roma [ Show all ]
Inchi Key	OFBIFZUFASYYRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
PubChem CID	3373
ChEMBL	CHEMBL407
IUPHAR	N/A
BindingDB	26263
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	31.6 nM	PubChem BioAssay data set	ChEMBL

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