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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	CMLDBU00002173
Molecular formula	C37H46N4O4
IUPAC name	methyl (2S,5S,6S)-1-[4-[(E)-[(2S)-1-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)propan-2-yl]oxyiminomethyl]benzoyl]-5-methyl-6-(4-methylphenyl)piperidine-2-carboxylate
Molecular weight	610.799
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	7.3
Synonyms	CHEMBL3194627 NCGC00181655-01 CCG-101514 SR-05000000528-1 SMR000113079 MLS000439076 SR-05000000528 [ Show all ]
Inchi Key	AGNFQBIQIBOCMT-KMMWKWRGSA-N
Inchi ID	InChI=1S/C37H46N4O4/c1-24-10-15-30(16-11-24)35-25(2)12-19-33(37(43)44-6)41(35)36(42)31-17-13-29(14-18-31)22-38-45-27(4)23-40-20-8-7-9-32-34(40)21-26(3)28(5)39-32/h10-11,13-18,21-22,25,27,33,35H,7-9,12,19-20,23H2,1-6H3/b38-22+/t25-,27-,33-,35-/m0/s1
PubChem CID	9556025
ChEMBL	CHEMBL3194627
IUPHAR	N/A
BindingDB	N/A
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
5043	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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