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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Histamine H1 receptor
Species	Mus musculus (Mouse)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	488
Amino acid sequence	MSLPNTSSASEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFLSFLWVIPILGWHHFTPLAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPTFLEIKLRSEDAKEGAKKPGKESPWGVQKRPSRDPTGGLDQKSTSEDPKVTSPTVFSQEGERETVTRPCFRLDVMQTQPVPEGDARGSKANDQTLSQPKMDEQSLSTCRRISETSEDQTLVDRQSFSRTTDSDTSIEPGLGKVKARSRSNSGLDYIKVTWKRLRSHSRQYVSGLHLNRERKAAKQLGCIMAAFILCWIPYFIFFMVIAFCNSCCSEPVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P70174
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	CHEMBL4322
IUPHAR	N/A
DrugBank	N/A

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	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 AC1NK6AJ CS-4964 GTPL1279 JNJ7777120, >=98% (HPLC) NCGC00165814-02 SW219424-1 (5-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone 2490AH BC252565 D0E9SR HY-13508 MCULE-4664243664 RT-013403 [3H]-JNJ7777120 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone [ 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	1279, 1278
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	<10000.0 nM	PMID14722321	BindingDB

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