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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	Carcinine
Molecular formula	C8H14N4O
IUPAC name	3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
Molecular weight	182.227
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	-1.5
Synonyms	N-(2-(1H-Imidazol-5-yl)ethyl)-3-aminopropanamide Prestwick0_000422 SMP2_000161 4CH-021715 AX8223359 CHEBI:131429 HMS1569E06 N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide Prestwick3_000422 UNII-WIV0W167TC AC1Q5P6Q BPBio1_000446 CHEMBL461024 HMS3371N06 NCGC00015221-02 SCHEMBL19051459 AKOS013465881 CAS-56897-53-1 DTXSID90205421 Lopac0_000210 N-beta-alanylhistamine Prestwick1_000422 SMR001233178 56897-53-1 beta-alaninylhistamine CHEBI:95262 HMS2096E06 n-[2-(1h-imidazol-5-yl)ethyl]-\|A-alaninamide Propanamide, 3-amino-N-(2-(1H-imidazol-4-yl)ethyl)- WIV0W167TC AK-84422 BSPBio_000404 CTK8C1268 KSC921E6R MLS002153803 NCGC00015221-03 SCHEMBL2819350 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide ANW-66135 CCG-204305 HJD N-[2-(1H-imidazol-4-yl)ethyl]-beta-alaninamide Prestwick2_000422 SPBio_002343 AC1L1DZE beta-Alanylhistamine HMS2235I06 NCGC00015221-01 RT-003724 ZINC29747055 AKOS006271690 D06ZBV Lopac-C-2321 [ Show all ]
Inchi Key	ANRUJJLGVODXIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)
PubChem CID	2574
ChEMBL	CHEMBL461024
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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