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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	JNJ-7777120
Molecular formula	C14H16ClN3O
IUPAC name	(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Molecular weight	277.752
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.3
Synonyms	AC1NK6AJ CS-4964 GTPL1279 JNJ7777120, >=98% (HPLC) NCGC00165814-02 SW219424-1 (5-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone BC252565 D0E9SR HY-13508 MCULE-4664243664 RT-013403 [3H]-JNJ7777120 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone 2490AH 5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1h-indole FT-0747430 MolPort-002-651-947 SCHEMBL186434 1-[(5-CHLORO-1H-INDOL-2-YL)CARBONYL]-4-METHYL-PIPERAZINE AKOS005410426 CTK8E8457 HMS3651L08 KS-00000XLK NCGC00165814-04 UNII-4H1AU2V37X (5-chloro-1H-indol-2-yl)(4-methylpiperazino)methanone 459168-41-3 BCP06355 ES-0048 J-521699 METHANONE, (5-CHLORO-1H-INDOL-2-YL)(4-METHYL-1-PIPERAZINYL)- s2905 [3H]JNJ 7777120 (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone AB00815151-06 CHEMBL129198 GTPL1278 JNJ7777120 NCGC00165814-01 STK175446 (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine AOB33758 D06IFH HUQJRYMLJBBEDO-UHFFFAOYSA-N LS-192017 RL03714 ZINC19868747 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-metha none 4H1AU2V37X BDBM22566 EX-A2082 JNJ 7777120 MFCD04343337 SB19527 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine [ Show all ]
Inchi Key	HUQJRYMLJBBEDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
PubChem CID	4908365
ChEMBL	CHEMBL129198
IUPHAR	1278, 1279
BindingDB	22566
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	<8511.38 nM	PMID18983139	ChEMBL
Ki	8511.0 nM	PMID18983139	BindingDB

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