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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	CHEMBL1269133
Molecular formula	C33H48N6O5
IUPAC name	N-[(2S)-1-[[(2S,3S)-1-[[3-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight	608.784
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.3
Synonyms	BDBM50329488 5-Isoxazoyl-Cha-Ile-(3-[aminomethyl]phenyl)-(4-[aminomethyl]-piperidin-1-yl)methanone
Inchi Key	HXLQLJFWNKMGET-NVLPUFGLSA-N
Inchi ID	InChI=1S/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-8-5-4-6-9-23)37-31(41)28-12-15-36-44-28)32(42)35-21-25-10-7-11-26(18-25)33(43)39-16-13-24(20-34)14-17-39/h7,10-12,15,18,22-24,27,29H,3-6,8-9,13-14,16-17,19-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22-,27-,29-/m0/s1
PubChem CID	49788311
ChEMBL	CHEMBL1269133
IUPHAR	N/A
BindingDB	50329488
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
126382	Proteinase-activated receptor 2	P55085	F2RL1	Homo sapiens (Human)	397

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