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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	CHEMBL89734
Molecular formula	C33H37N5O5
IUPAC name	(2S)-3-(1H-indol-3-yl)-N-[[1-(2-methoxyphenyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
Molecular weight	583.689
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	6.2
Synonyms	BDBM50071755 (S)-3-(1H-Indol-3-yl)-N-[1-(2-methoxy-phenyl)-cyclohexylmethyl]-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide
Inchi Key	IGGDYDYGUOVJQB-YTTGMZPUSA-N
Inchi ID	InChI=1S/C33H37N5O5/c1-32(20-23-21-34-28-12-6-4-10-26(23)28,37-31(40)36-24-14-16-25(17-15-24)38(41)42)30(39)35-22-33(18-8-3-9-19-33)27-11-5-7-13-29(27)43-2/h4-7,10-17,21,34H,3,8-9,18-20,22H2,1-2H3,(H,35,39)(H2,36,37,40)/t32-/m0/s1
PubChem CID	44321036
ChEMBL	CHEMBL89734
IUPHAR	N/A
BindingDB	50071755
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
132520	Gastrin-releasing peptide receptor	P30550	GRPR	Homo sapiens (Human)	384
132521	Neuromedin-B receptor	P28336	NMBR	Homo sapiens (Human)	390

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