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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	MLS000834649
Molecular formula	C22H22N4O4
IUPAC name	benzyl (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate
Molecular weight	406.442
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.7
Synonyms	CHEMBL1467763 (phenylmethyl) (2S)-2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate benzyl (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate (2S)-2-[[5-(methylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid benzyl ester cid_16196420 SMR000391231 (2S)-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester HMS2227J09 BDBM47504 [ Show all ]
Inchi Key	BHYZKAIIAPSNJI-KRWDZBQOSA-N
Inchi ID	InChI=1S/C22H22N4O4/c1-23-20(27)18-19(25-14-24-18)21(28)26-17(12-15-8-4-2-5-9-15)22(29)30-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,23,27)(H,24,25)(H,26,28)/t17-/m0/s1
PubChem CID	16196420
ChEMBL	CHEMBL1467763
IUPHAR	N/A
BindingDB	47504
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
24206	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
465902	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
24204	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
24205	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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