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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	CHEMBL3144353
Molecular formula	C41H46N6O5
IUPAC name	(2S)-N-benzyl-2-[[(2R)-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-N-methyl-3-phenylpropanamide
Molecular weight	702.856
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.9
Synonyms	N/A
Inchi Key	OZQNRPOHMYPZKM-LRAUYJCASA-N
Inchi ID	InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)/t28?,30?,32-,33+,34+,37+/m1/s1
PubChem CID	10439730
ChEMBL	CHEMBL3144353
IUPHAR	N/A
BindingDB	N/A
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
254176	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
254177	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
254178	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
254179	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
254180	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
254181	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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