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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	Rimcazole
Molecular formula	C21H27N3
IUPAC name	9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
Molecular weight	321.468
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.9
Synonyms	DTXSID7048162 Rimcazolum 9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9H-carbazole 9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carbazole AC1L1ETO C21H27N3 NCGC00025187-01 Tocris-1497 9-[3-((3R,5S)-3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carbazole 9-[3-(Cis-3,5-Dimethyl-1-Piperazinyl)Propyl]Carbazole Hydrochloride AOB5285 cis-9-[3-(3,5-dimethyl-1-piperazinyl)propyl]carbazole 9-[3-(3,5-cis-dimethylpiperazino)propyl]-carbazole 9-{3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl}-9H-carbazole BW 234U GUDVQJXODNJRIJ-CALCHBBNSA-N Rimcazolum [INN-Latin] 9-(3-(3,5-dimethylpiperazin-1-yl)propyl)-9H-carbazole 9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carbazole (Rimcazole) (BW234U) AC1Q29PK C3N1PS8CX1 Rimcazol UNII-C3N1PS8CX1 9-[3-((3S,5R)-3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carbazole 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole API0009158 CHEMBL275707 D0M9GE Rimcazole [INN] 75859-04-0 9-[3-(3,5-cis-dimethylpiperazino)propyl]carbazole 9H-Carbazole, 9-(3-(3,5-dimethyl-1-piperazinyl)propyl)-, cis- BW-234U LS-177217 SCHEMBL99084 9-[3-((3R,5R)-3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carbazole 9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carbazole(rimcazole) AC1Q29PL CHEBI:94713 Rimcazol [INN-Spanish] ZINC22920326 9-[3-(3,5-cis-dimethylpiperazino)-propyl]-carbazole 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole BDBM50019742 cis-9-(3-(3,5-dimethyl-1-piperazinyl)propyl)carbazole [ Show all ]
Inchi Key	GUDVQJXODNJRIJ-CALCHBBNSA-N
Inchi ID	InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
PubChem CID	53389
ChEMBL	CHEMBL275707
IUPHAR	N/A
BindingDB	50019742
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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