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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	CHEMBL3144351
Molecular formula	C44H48N6O8
IUPAC name	4-[3-[(2R)-3-[[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]-3-oxopropyl]indol-1-yl]-4-oxobutanoic acid
Molecular weight	788.902
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	3.2
Synonyms	N/A
Inchi Key	HLIHPODCOYBKPV-XZDKCQRISA-N
Inchi ID	InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)/t29?,31?,33-,34+,35+,40+/m1/s1
PubChem CID	9832198
ChEMBL	CHEMBL3144351
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
117952	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
117948	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
117949	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
117951	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
117947	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
117950	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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