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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	3-MPPI
Molecular formula	C23H25N5O3
IUPAC name	3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Molecular weight	419.485
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.7
Synonyms	NCGC00024664-02 BRD-K62581435-001-02-0 CHEMBL301707 SR-01000597636-1 3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione B6361 MolPort-023-275-899 3-[2-[4-(2-Methoxyphenyl)piperazino]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione BPBio1_000310 NCGC00024664-03 133399-65-2 AC1N1ZOQ CHEBI:114191 HMS3266M22 Tocris-0581 BDBM50006952 NCGC00024664-01 3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrimido[5,4-b]indole-2,4-dione BRD-K62581435-001-01-2 SR-01000597636 2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione AKOS024458570 J-006367 ZINC29486259 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Biomol-NT_000127 [ Show all ]
Inchi Key	AQASGOHUMGAWJJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
PubChem CID	4013695
ChEMBL	CHEMBL301707
IUPHAR	N/A
BindingDB	50006952
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
11529	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
11527	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
11531	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
11530	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
11532	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
11528	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
442153	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
11533	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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