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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	Histamine H2 receptor
Species	Homo sapiens (Human)
Gene	HRH2
Synonym	HH2R H2R Gastric receptor I H2 receptor
Disease	Ulcerative colitis Pain Peptic ulcer Gastroesophageal reflux disease Gastric ulcer Gastric secretory disorders Stomach ulcer Duodenal ulcers Acid-reflux disorders [ Show all ]
Length	359
Amino acid sequence	MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR
UniProt	P25021
Protein Data Bank	N/A
GPCR-HGmod model	P25021
3D structure model	This predicted structure model is from GPCR-EXP P25021.
BioLiP	N/A
Therapeutic Target Database	T30985
ChEMBL	CHEMBL1941
IUPHAR	263
DrugBank	BE0000112

Ligand

Name	AF-353
Molecular formula	C14H17IN4O2
IUPAC name	5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
Molecular weight	400.22
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.8
Synonyms	5-(5-IODO-2-ISOPROPYL-4-METHOXYPHENOXY)PYRIMIDINE-2,4-DIAMINE AATPYXMXFBBKFO-UHFFFAOYSA-N CHEMBL526307 KB-3355831 5-[5-Iodo-4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine AF353 D0B1KT MolPort-046-033-493 5-(5-iodo-2-isopropyl-4-methoxy-phenoxy) -pyrimidine-2,4-diamine A-375 BDBM50257636 GTPL4125 ZINC34809174 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine AF 353 CS-5061 KB-74527 2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]- AKOS026750345 DTXSID90580447 NCGC00484064-01 5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine A841708 HY-14483 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine. CTK2I3362 MolPort-020-001-886 5-(5-iodanyl-4-methoxy-2-propan-2-yl-phenoxy)pyrimidine-2,4-diamine 865305-30-2 BCP28391 EX-A1635 SCHEMBL1494138 [ Show all ]
Inchi Key	AATPYXMXFBBKFO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
PubChem CID	15953802
ChEMBL	CHEMBL526307
IUPHAR	N/A
BindingDB	50257636
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	100000000.0 nM	PMID19231180	BindingDB,ChEMBL

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