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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	UPCMLD04ADMT001034
Molecular formula	C31H36N2O4
IUPAC name	benzyl N-[(S)-[(1S,2R)-2-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
Molecular weight	500.639
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.2
Synonyms	NCGC00074201-01 AC1MMZUH CHEMBL1318400 SDCCGMLS-0091614.P001 benzyl N-[(S)-[(1S,2R)-2-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate CMLD4_000145 [ Show all ]
Inchi Key	ACGNORVVGCXOJV-WDNBFFNVSA-N
Inchi ID	InChI=1S/C31H36N2O4/c1-22(29(35)32-26(20-34)18-23-12-6-3-7-13-23)27-19-31(27,2)28(25-16-10-5-11-17-25)33-30(36)37-21-24-14-8-4-9-15-24/h3-17,22,26-28,34H,18-21H2,1-2H3,(H,32,35)(H,33,36)/t22-,26-,27-,28-,31+/m1/s1
PubChem CID	3247265
ChEMBL	CHEMBL1318400
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
1545	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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