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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.
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GPCR

Name	Thromboxane A2 receptor
Species	Rattus norvegicus (Rat)
Gene	Tbxa2r
Synonym	prostanoid TP receptor TP receptor TXA2-R TXR2
Disease	N/A for non-human GPCRs
Length	341
Amino acid sequence	MWLNSTSLGACFRPVNITLQERRAIASPWFAASFCALGLGSNLLALSVLAGARPGAGPRSSFLALLCGLVLTDFLGLLVTGAVVASQHAALLDWRATDPGCRLCHFMGAAMVFFGLCPLLLGAAMAAERFVGITRPFSRPAATSRRAWATVGLVWVGAGTLGLLPLLGLGRYSVQYPGSWCFLTLGAERGDVAFGLMFALLGSVSVGLSLLLNTVSVATLCRVYHAREATQRPRDCEVEMMVQLVGIMVVATVCWMPLLVFILQTLLQTLPVMSPSGQLLRTTERQLLIYLRVATWNQILDPWVYILFRRSVLRRLHPRFTSQLQAVSLHSPPTQAMLSGP
UniProt	P34978
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3156
IUPHAR	346
DrugBank	N/A

Ligand

Name	DALTROBAN
Molecular formula	C16H16ClNO4S
IUPAC name	2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid
Molecular weight	353.817
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.9
Synonyms	BM 13.505 D03QGL DSSTox_GSID_46501 L000134 S25VDY08ZC Tox21_112262_1 (p-(2-(p-Chlorobenzenesulfonamido)ethyl)phenyl)acetic acid 4-(2-(4-Chlorophenylsulfonylamino)ethyl)phenylacetic acid AC1Q74XN C16H16ClNO4S Daltroban [USAN:INN] FT-0603138 NCGC00165787-01 SK&F-96148 {4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid AOB5618 CHEMBL71685 Daltrobanum [Latin] K396 PDSP1_000741 SMR002529681 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid A90 Benzeneacetic acid, 4-(2-(((4-chlorophenyl)sulfonyl)amino)ethyl)- BM 13505 DSSTox_RID_81670 LS-171958 SCHEMBL309160 UNII-S25VDY08ZC 094D205 4-[2-(4-chlorophenylsulphonylamino)-ethyl]-phenylacetic acid AKOS033574191 CAS-79094-20-5 Daltroban, >98% (HPLC) GTPL1986 NCGC00165787-02 SKF 96148 2-(4-(2-(4-chlorophenylsulfonamido)ethyl)phenyl)acetic acid 79094-20-5 AS-16904 D03642 DSSTox_CID_26501 KB-227072 PDSP2_000729 Tox21_112262 (daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid 4-(2-(4-Chlorobenzenesulfonylamino)ethyl)benzeneacetic acid AC1L1GTL BM 13,505 BM-13505 Daltroban (USAN/INN) DTXSID6046501 MLS004712052 SK&F 96148 ZINC608296 105218-03-9 4-[2-[(4-Chlorophenylsulfonyl)amino]ethyl]benzeneacetic acid AN-36608 Daltrobanum IULOBWFWYDMECP-UHFFFAOYSA-N NCGC00165787-03 SKF-96148 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid 93-32-3 BDBM50002805 [ Show all ]
Inchi Key	IULOBWFWYDMECP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
PubChem CID	54343
ChEMBL	CHEMBL71685
IUPHAR	1986
BindingDB	50002805
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	37.0 nM	PMID10091692	BindingDB
IC50	37.1 nM	PMID10091692	ChEMBL

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