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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	CHEMBL93961
Molecular formula	C31H40ClN3O3
IUPAC name	methyl N-[1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
Molecular weight	538.129
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.1
Synonyms	methyl N-[1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate Carbamic acid, [1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl](cyclopentylmethyl)-, methyl ester CTK6J2782 AC1LAKMK methyl(1-{[(3s,4s)-1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl}piperidin-4-yl)(cyclopentylmethyl)carbamate methyl N-[1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenyl-pyrrolidin-3-yl]methyl]-4-piperidyl]-N-(cyclopentylmethyl)carbamate BDBM50105506 {1-[(3S,4S)-1-(2-Chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-cyclopentylmethyl-carbamic acid methyl ester [ Show all ]
Inchi Key	AYBYDZGKZJGCDX-LBNVMWSVSA-N
Inchi ID	InChI=1S/C31H40ClN3O3/c1-38-31(37)35(19-23-9-5-6-10-23)26-15-17-33(18-16-26)20-25-21-34(22-28(25)24-11-3-2-4-12-24)30(36)27-13-7-8-14-29(27)32/h2-4,7-8,11-14,23,25-26,28H,5-6,9-10,15-22H2,1H3/t25-,28+/m0/s1
PubChem CID	490008
ChEMBL	CHEMBL93961
IUPHAR	N/A
BindingDB	50105506
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
17306	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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