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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	PD 168368
Molecular formula	C31H34N6O4
IUPAC name	(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular weight	554.651
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	5.2
Synonyms	PD-168368 BDBM50071735 D07IAK ZINC3951092 MolPort-044-561-467 PD168368 GTPL621 (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide SCHEMBL6249801 CHEMBL329650 J-013285 (S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide [ Show all ]
Inchi Key	AFDXUTWMFMAQJO-PMERELPUSA-N
Inchi ID	InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
PubChem CID	9937534
ChEMBL	CHEMBL329650
IUPHAR	621
BindingDB	50071735
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
4071	Gastrin-releasing peptide receptor	P30550	GRPR	Homo sapiens (Human)	384
4072	Neuromedin-B receptor	P28336	NMBR	Homo sapiens (Human)	390
553261	Neuromedin-B receptor	P24053	Nmbr	Rattus norvegicus (Rat)	390

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