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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	152121-47-6
Molecular formula	C21H16FN3OS
IUPAC name	4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
Molecular weight	377.437
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	SB 203580, solid, >=98% (HPLC) CBiol_001970 SC-27890 cid_176155 TC-160921 EX-A134 X7403 HMS3244I16 J-008891 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)1H-imidazole MFCD00922198 4-{4-(4-fluorophenyl)-2-[4-(methanesulfinyl)phenyl]-1H-imidazol-5-yl}pyridine NCGC00025035-05 AC1L41YG Pyridine, 4-[4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]- BCP01763 RWJ-64809, (R)- BIRB-203580, (R)- BRD-A37704979-001-02-4 SB-203580, (S)- CDMGBJANTYXAIV-UHFFFAOYSA-N SR-01000597367 CTK8E9223 TRA0064819 GTPL5269 HMS3403H05 2Z5A7553WW KB-34197 4-(5-(4-fluorophenyl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)pyridine MolPort-020-313-396 652162-77-1 PB-203580, (R)- AKOS015994568 QC-11773 BDBM192501 RWJ-64809\|\|\|PB-203580\|\|\|4-[4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine BSPBio_001104 SB203580,RWJ 64809,PB 203580 SYN1074 DTXSID2040577 US9187470, 104 (SB203580) HMS3229O04 I14-10276 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazol LS-186976 4-[5-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-3H-imidazol-4-yl]pyridine NCGC00025035-03 AB0033710 Pyridine, 4-(4-(4-fluorophenyl)-2-(5-((S)-methylsulfinyl)phenyl)-1H-imidazol-4-yl)- AOB6367 RWJ 64809 Bio1_000745 SB 203580 SB-203580 cc-50 SCHEMBL95208 CS-0140 Tocris-1202 FT-0674525 ZX-AFC000489 HMS3244J15 J-513573 4-(4-Fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-5- MLS006010840 4-{4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine NCGC00381704-12 AK-51369 Pyridine, 4-[5-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-yl]- BCPP000074 RWJ-64809, (S)- BIRB-203580, (S)- BRD-A37704979-003-01-2 SB16633 CF-031 SR-01000597367-1 D0F8DL UNII-2Z5A7553WW HMS1792H05 HMS3654M15 4-(4-(4-Fluorophenyl)-2-(4-(methylsulfinyl)-phenyl)-1H-imidazol-5-yl)pyridine Kinome_2521 4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine NCGC00025035-01 896734-47-7 PB-203580, (S)- AM81234 RS0055 BDBM50045333 S-7702 SB 203580 & Z-100 C21H16FN3OS SB203580/SB-203580 CHEMBL10 TC-063053 ES-0013 WS78QR6DSV HMS3244I15 121S476 InSolution™ SB 203580 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole LS-187618 4-[5-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-3H-imidazol-4-yl]pyridine NCGC00025035-04 ABP000230 Pyridine, 4-(5-(4-fluorophenyl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)- AX8150875 RWJ 64809, PB 203580, 152121-47-6 Bio1_001234 SB-203580, (R)- CCG-206878 SMR004701767 CTK7C0221 Tocris-1402 GK9716 HMS3267B07 1pme K00038 4-(4-Fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-5-(4-pyridyl)-1H-imidazole MolPort-000-006-291 4CA-1136 PB 203580 AKOS005145971 Pyridine, 4-[5-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-yl]- & Z-100 BDBM13336 RWJ-64809; BIS0733 BS0218 SB203580 CHEBI:90705 SW218141-2 DB-026130 UNII-WS78QR6DSV HMS1990H05 HY-10256 4-(4-(4-fluorophenyl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-5-yl)pyridine KS-000018EO 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine NCGC00025035-02 A15256 Pyridine, 4-(4-(4-fluorophenyl)-2-(5-((R)-methylsulfinyl)phenyl)-1H-imidazol-4-yl)- ANW-72176 RTC-063053 Bio1_000256 s1076 [ Show all ]
Inchi Key	CDMGBJANTYXAIV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
PubChem CID	176155
ChEMBL	CHEMBL10
IUPHAR	N/A
BindingDB	13336
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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