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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 H3 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh3
Synonym	GPCR97 H3 receptor H3R HH3R
Disease	N/A for non-human GPCRs
Length	445
Amino acid sequence	MERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProt	Q9QYN8
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	CHEMBL4124
IUPHAR	264
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	CS-4964 GTPL1279 JNJ7777120, >=98% (HPLC) NCGC00165814-02 SW219424-1 (5-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone AC1NK6AJ BC252565 D0E9SR HY-13508 MCULE-4664243664 RT-013403 [3H]-JNJ7777120 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone 2490AH FT-0747430 MolPort-002-651-947 SCHEMBL186434 1-[(5-CHLORO-1H-INDOL-2-YL)CARBONYL]-4-METHYL-PIPERAZINE 5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1h-indole CTK8E8457 HMS3651L08 KS-00000XLK NCGC00165814-04 UNII-4H1AU2V37X (5-chloro-1H-indol-2-yl)(4-methylpiperazino)methanone AKOS005410426 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 459168-41-3 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 AB00815151-06 D06IFH HUQJRYMLJBBEDO-UHFFFAOYSA-N LS-192017 RL03714 ZINC19868747 (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-metha none AOB33758 BDBM22566 EX-A2082 JNJ 7777120 MFCD04343337 SB19527 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine 4H1AU2V37X [ 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	1318.0 nM	PMID18811133	BindingDB
Ki	1318.26 nM	PMID18811133	ChEMBL
Ki	1445.0 nM	PMID18983139	BindingDB
Ki	1445.44 nM	PMID18983139	ChEMBL
Ki	4696.0 nM	PMID14722321	BindingDB

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