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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	CHEMBL2203618
Molecular formula	C27H32N4O
IUPAC name	N-[(1S)-3-[(1R,5S)-6-(2-methylbenzimidazol-1-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-phenylpropyl]cyclobutanecarboxamide
Molecular weight	428.58
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.1
Synonyms	N-[(1S)-3-[(1S,5R)-6-(2-methylbenzimidazol-1-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-phenyl-propyl]cyclobutanecarboxamide BDBM50400792 Cyclobutanecarboxamide, N-[(1S)-3-[(1R,5S)-6-(2-methyl-1H-benzimidazol-1-yl)-3-azabicyclo[3.1.0]hex-3-yl]-1-phenylpropyl]-
Inchi Key	ABQNQYIWXKWYGD-CAQDGQBVSA-N
Inchi ID	InChI=1S/C27H32N4O/c1-18-28-24-12-5-6-13-25(24)31(18)26-21-16-30(17-22(21)26)15-14-23(19-8-3-2-4-9-19)29-27(32)20-10-7-11-20/h2-6,8-9,12-13,20-23,26H,7,10-11,14-17H2,1H3,(H,29,32)/t21-,22+,23-,26?/m0/s1
PubChem CID	11690481
ChEMBL	CHEMBL2203618
IUPHAR	N/A
BindingDB	50400792
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
1080	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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