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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	CHEMBL47146
Molecular formula	C29H41FN4O4
IUPAC name	[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2-fluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate
Molecular weight	528.669
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	5.1
Synonyms	D0J3AO PD-160946 [(R)-2-(2-Fluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester BDBM50050652
Inchi Key	ZAYADERDILOEBG-ABYGYWHVSA-N
Inchi ID	InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
PubChem CID	9914897
ChEMBL	CHEMBL47146
IUPHAR	N/A
BindingDB	50050652
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
424065	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
424068	Neuromedin-K receptor	P30098	TACR3	Cavia porcellus (Guinea pig)	440
424069	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
424067	Substance-K receptor	P51144	TACR2	Mesocricetus auratus (Golden hamster)	384
424066	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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