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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	MLS000092917
Molecular formula	C22H29N5O3S
IUPAC name	5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pentanamide
Molecular weight	443.566
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.1
Synonyms	5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[2-(1-pyrrolidinyl)ethyl]pentanamide HMS2430B07 ZINC100451541 AKOS001832201 MLS001367525 5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pentanamide CHEMBL3182828 SR-01000133743 5-(8-methoxy-4-oxo-2-thioxo-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pentanamide MCULE-9249538618 BDBM39248 MolPort-007-655-114 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pentanamide cid_3244338 SR-01000133743-1 AC1MMTV3 5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(2-pyrrolidinoethyl)valeramide SMR000028553 [ Show all ]
Inchi Key	ABRYDOSFOASSTA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29N5O3S/c1-30-15-7-8-17-16(14-15)19-20(24-17)21(29)27(22(31)25-19)12-3-2-6-18(28)23-9-13-26-10-4-5-11-26/h7-8,14,24H,2-6,9-13H2,1H3,(H,23,28)(H,25,31)
PubChem CID	3244338
ChEMBL	CHEMBL3182828
IUPHAR	N/A
BindingDB	N/A
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
1115	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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