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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	DEXPROPRANOLOL
Molecular formula	C16H21NO2
IUPAC name	(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	PDSP2_000763 R (+)-Propanolol AY-20694 SMR000875288 CAS-5051-22-9 UNII-PG6KY07UD7 D04JEE Dexpropranololum [INN-Latin] etalong Innopran XL (TN) (2R)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol NCGC00015798-01 (S)-(-)-PROPRANOLOL NCGC00016429-05 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (R)- Prestwick0_001075 AJ-08417 R-(+)-Propranolol BIDD:GT0130 Tocris-0624 Despropranolo DSSTox_CID_25304 Inderal (TN) (+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol Lopac-P-0884 (2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol NCGC00015798-11 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol NCGC00024814-01 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2R)- 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol Propranolol (INN) AQHHHDLHHXJYJD-CQSZACIVSA-N SCHEMBL25255 CAS-13071-11-9 Tox21_110435_1 d-(+)-Propranolol Dexpropranolol [INN:BAN] DTXSID3045304 INDERIDE-40/25 (2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride MLS001333595 (R)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol NCGC00016429-03 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-(9CI) PDSP1_000775 PDSP2_001073 AB00514691 R(+)-propranolol BDBM60973 SPBio_002995 CAS-839971 ZINC20240 DB03322 Dextropropranolol FT-0650563 Intermigran (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol NCGC00015798-02 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane NCGC00016429-06 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (R)- (9CI) 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (R)- Prestwick1_001075 AKOS025212355 Reducorline BRD-K92830582-003-04-8 Tocris-0835 CHEMBL275742 Despropranolo [DCIT] DSSTox_GSID_45304 Inderal LA (TN) (+)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Lopac-P-8688 (R)-(+)-Propanolol hydrochloride NCGC00016429-01 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol, (R)- NCGC00024814-02 5051-22-9 Propranolol (TN) Avlocardyl (TN) Servanolol CAS-318-98-9 UNII-9Y8NXQ24VQ component AQHHHDLHHXJYJD-CQSZACIVSA-N D-Propranolol Dexpropranololum EINECS 225-749-2 INDERIDE-80/25 (2R)-1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol;hydrochloride MolPort-002-051-372 (R)-Propranolol NCGC00016429-04 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)-(9CI) PDSP1_001089 PG6KY07UD7 AC1L2HPB R,S-Propranolol Hydrochloride Betachron Sumial (TN) CHEBI:8736 Deralin (TN) Dociton (TN) GTPL7596 (+)-(r)-propranolol Kemi S (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride NCGC00015798-03 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol NCGC00024690-01 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+)- 2R-Propranolol Prestwick2_001075 Anaprilinum (TN) SC-95481 C11193 Tox21_110435 cid_66366 DSSTox_RID_80790 Inderalici (TN) (+)-Propranolol LS-122411 (R)-(+)-propranolol NCGC00016429-02 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol Obzidan [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-CQSZACIVSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
PubChem CID	21138
ChEMBL	CHEMBL275742
IUPHAR	N/A
BindingDB	60973
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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