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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	gabapentin
Molecular formula	C9H17NO2
IUPAC name	2-[1-(aminomethyl)cyclohexyl]acetic acid
Molecular weight	171.24
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-1.1
Synonyms	PMS-Gabapentin s2133 Serada Stadapharm brand of gabapentin TR-020802 [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID Novo-Gabapentin NCGC00015466-09 FT-0626586 Gabapentin Hexal 1-(Aminomethyl)cyclohexaneaceticAcid Gabapentin, solid 42G963 gabapentinium AC1Q53PH Go 3450 Apo-Gabapentin Hexal brand of gabapentin BR-35803 HSDB 7364 CHEBI:42797 Lopac0_000582 Cyclohexaneacetic acid, 1-(aminomethyl)- NCGC00015466-01 DSSTox_CID_74 Prestwick2_000861 SBB066157 SR-01000000019 TL8003814 UNII-6CW7F3G59X NCGC00261267-01 NSC-742194 DTXSID0020074 NCGC00021545-02 Gabapen (1-Aminomethyl-cyclohexyl)-acetic acid Gabapentin Stada 1-aminomethyl-1-cyclohexane-acetic acid Gabapentin-ratiopharm AB0068842 Gabapentino [Spanish] AJ-08236 GOE 3450; CI 945; GO 3450 BBL010794 HMS2097N03 C07018 KS-00000AF6 CI 945 M-2788 NCGC00015466-04 ratiopharm brand of gabapentin SCHEMBL8343 SR-01000000019-6 Tox21_110157_1 Z1258578343 Neurontin Pfizer brand of gabapentin NCGC00015466-07 EU-0100582 gabapentin (Neurontin) 1-(aminomethyl)cyclohexanacetic acid Gabapentin, European Pharmacopoeia (EP) Reference Standard 2-[(aminomethyl)cyclohexyl]acetic acid Gabapentine AC-1485 Gabapetin AN-14914 Gralise (TN) BIDD:GT0656 HMS3650A20 CCG-204671 L000733 CS-1545 MLS000069358 DM-1796 Prestwick0_000861 SAM002548985 SMR000058311 STK598009 TRA0097671 Novo-Gabapentine NCGC00015466-11 G-154 Gabapentin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 1-(aminomethyl)cyclohexyl-acetic Acid Gabapentin, United States Pharmacopeia (USP) Reference Standard 60142-96-3 Gabapentino Aclonium GOE 2450 Apotex brand of gabapentin HMS1570N03 BRN 2359739 HY-A0057 LP00582 D00332 NCGC00015466-02 DSSTox_GSID_20074 Prestwick3_000861 SBI-0206904.P001 SR-01000000019-11 Tocris-0806 Vultin Neuontin NSC742194 EINECS 262-076-3 NCGC00021545-04 1-(Aminomethyl)-cyclohexaneacetic acid Gabapentin [USAN:INN:BAN] 1-Aminomethyl-1cyclohexane-acetic acid GABAPENTIN; NEURONTIN AB07485 Gabapentinum AKOS000280865 Goe-3450 BCP25698 HMS2236O03 C9H17NO2 KS-1064 CI-945 MCULE-5392848565 DB00996 NCGC00015466-05 RTR-020802 Sefelsa ST2410212 Tox21_500582 ZINC4949 Neurontin (TN) Pharmascience brand of gabapentin NCGC00015466-08 Fanatrex Gabapentin GR 1-(Aminomethyl)cyclohexaneacetic acid Gabapentin, Pharmaceutical Secondary Standard; Certified Reference Material 2-[1-(aminomethyl)cyclohexyl]acetic acid Gabapentine [INN-French] AC1L1FYE GBN ANW-43124 GTPL5483 BPBio1_000993 HMS3714N03 CCRIS 7210 Lopac-G-154 CTK3J2213 MolPort-000-883-862 DM-5689 Prestwick1_000861 SAM002589946 SPBio_002822 Therapentin-90 UGJMXCAKCUNAIE-UHFFFAOYSA-N Novopharm brand of gabapentin DSSTox_RID_75350 NCGC00016891-01 G0318 Gabapentin solution, 10 mg/mL in methanol, ampule of 1 mL, certified reference material 1-aminomethyl cyclohexaneacetic acid Gabapentin-ER 6CW7F3G59X Gabapentino [INN-Spanish] ACT03340 GOE 3450 Aventis brand of gabapentin HMS2089J03 BSPBio_000901 I06-0677 CHEMBL940 LS-7194 D0J0ZS NCGC00015466-03 Prestwick_151 SC-12130 SR-01000000019-2 Tox21_110157 Warner-Lambert brand of gabapentin Neurentin Parke Davis brand of gabapentin EN300-52516 NCGC00021545-05 Gabapentin (JAN/USAN/INN) 1-(Aminomethyl)-cyclohexaneacetic acid; Neurontin Gabapentin [USAN:USP:INN:BAN] 2-(1-(aminomethyl)cyclohexyl)acetic acid gabapentina AB1000455 Gabapentinum [INN-Latin] AM20070538 Gralise BDBM50080153 HMS3261F06 CAS-60142-96-3 KSC492E1H CPD000058311 MFCD00865286 DDS-2003 NCGC00015466-06 [ Show all ]
Inchi Key	UGJMXCAKCUNAIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
PubChem CID	3446
ChEMBL	CHEMBL940
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00996
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	15848.9 nM	PubChem BioAssay data set	ChEMBL

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