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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	CHEMBL368265
Molecular formula	C36H48N4O2
IUPAC name	(2R)-2-[(3S,4S)-3-[[4-(4-benzyl-2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid
Molecular weight	568.806
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.6
Synonyms	AC1LAMEJ (2R)-((3S,4S)-3-{[4-(4-Benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}-4-phenylpyrrolidin-1-yl)(cyclohexyl)acetic acid (R)-2-((3S,4S)-3-((4-(4-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid BDBM50141838 SCHEMBL7542220 (2R)-2-[(3S,4S)-3-[[4-(4-benzyl-2-ethyl-pyrazol-3-yl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid {3-[4-(4-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid (2R)-2-[(3S,4S)-3-[[4-(4-benzyl-2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid [ Show all ]
Inchi Key	ABASHAPKXWJBNZ-VUHKNJSWSA-N
Inchi ID	InChI=1S/C36H48N4O2/c1-2-40-34(31(23-37-40)22-27-12-6-3-7-13-27)30-18-20-38(21-19-30)24-32-25-39(26-33(32)28-14-8-4-9-15-28)35(36(41)42)29-16-10-5-11-17-29/h3-4,6-9,12-15,23,29-30,32-33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1
PubChem CID	516332
ChEMBL	CHEMBL368265
IUPHAR	N/A
BindingDB	50141838
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
711	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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