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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	CHEMBL310106
Molecular formula	C34H43ClN4O5S
IUPAC name	(3-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]-N-propylcarbamate
Molecular weight	655.251
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.6
Synonyms	Carbamic acid, [1-[(3S)-3-(3-chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl]-4-piperidinyl]propyl-, [3-(aminocarbonyl)phenyl]methyl ester (3-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]-4-piperidyl]-N-propyl-carbamate N-Propyl-N-[1-[(3S)-3-(3-chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl]-4-piperidinyl]carbamic acid 3-(aminocarbonyl)benzyl ester AC1LAEJZ (3-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]-N-propylcarbamate {1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-propyl-carbamic acid 3-carbamoyl-benzyl ester BDBM50104273 [ Show all ]
Inchi Key	AETDPCXHZHTWQD-GDLZYMKVSA-N
Inchi ID	InChI=1S/C34H43ClN4O5S/c1-3-18-39(34(41)44-25-26-9-7-11-28(22-26)33(36)40)31-16-20-38(21-17-31)19-15-29(27-10-8-12-30(35)23-27)24-37(2)45(42,43)32-13-5-4-6-14-32/h4-14,22-23,29,31H,3,15-21,24-25H2,1-2H3,(H2,36,40)/t29-/m1/s1
PubChem CID	486605
ChEMBL	CHEMBL310106
IUPHAR	N/A
BindingDB	50104273
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
3826	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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