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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	SR-02000000331
Molecular formula	C22H22ClN3O3
IUPAC name	[1-(benzylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
Molecular weight	411.886
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	[1-(benzylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate 1007990-33-1 MCULE-1737608348 SR-02000000331-1 AKOS033941875 [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate 1-(benzylcarbamoyl)ethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate CHEMBL1724292 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester MolPort-009-250-684 Z25457335 BDBM79490 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester cid_44640170 [ Show all ]
Inchi Key	CYFZABLBALEVFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22ClN3O3/c1-15-19(20(23)26(25-15)14-18-11-7-4-8-12-18)22(28)29-16(2)21(27)24-13-17-9-5-3-6-10-17/h3-12,16H,13-14H2,1-2H3,(H,24,27)
PubChem CID	44640170
ChEMBL	CHEMBL1724292
IUPHAR	N/A
BindingDB	79490
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
53455	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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