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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	LANEPITANT
Molecular formula	C33H45N5O3
IUPAC name	N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
Molecular weight	559.755
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.2
Synonyms	170566-84-4 D06HCC LY 303870 SCHEMBL121512 GTPL3510 LY303870 Lanepitant [INN] N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-[1,4'']bipiperidinyl-1''-yl-acetamide 17G8FN2E1F DTXSID80168879 LY-302654 (racemate) UNII-17G8FN2E1F AC1MJ6LZ N-((R)-2-Indol-3-yl-1-((N-(o-methoxybenzyl)acetamido)methyl)ethyl)(1,4'-bipiperidine)-1'-acetamide CHEMBL42407 LS-44577 N-[1(R)-(1H-Indol-3-ylmethyl)-2-[N-(2-methoxybenzyl)acetamido]ethyl]-2-[4-(1-piperidinyl)piperidin-1-yl]acetamide EX-A2688 LY-303870 BDBM50049319 Lanepitant < Prop INN > N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide [ Show all ]
Inchi Key	CVXJAPZTZWLRBP-MUUNZHRXSA-N
Inchi ID	InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1
PubChem CID	3086681
ChEMBL	CHEMBL42407
IUPHAR	3510
BindingDB	50049319
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
51869	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
51868	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
51867	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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