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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	CHEMBL234606
Molecular formula	C26H33FN4O3
IUPAC name	N-[(2S,3S,5R)-5-(aminomethyl)-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide
Molecular weight	468.573
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	2.6
Synonyms	BDBM50208997 N-((2S,3S,5R)-5-(aminomethyl)-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl)quinoxaline-2-carboxamide
Inchi Key	CDMIHUXRKUKJQL-OUOWLKGYSA-N
Inchi ID	InChI=1S/C26H33FN4O3/c1-26(2,34)11-10-18(15-28)14-24(32)22(13-17-6-5-7-19(27)12-17)31-25(33)23-16-29-20-8-3-4-9-21(20)30-23/h3-9,12,16,18,22,24,32,34H,10-11,13-15,28H2,1-2H3,(H,31,33)/t18-,22+,24+/m1/s1
PubChem CID	44431523
ChEMBL	CHEMBL234606
IUPHAR	N/A
BindingDB	50208997
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
39433	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355

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