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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	CHEMBL294616
Molecular formula	C30H39N5O7S2
IUPAC name	(4S,7R,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight	645.79
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	-0.6
Synonyms	13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid BDBM50001683 MCMMCRYPQBNCPH-DVKRWUGUSA-N
Inchi Key	MCMMCRYPQBNCPH-DVKRWUGUSA-N
Inchi ID	InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
PubChem CID	44299404
ChEMBL	CHEMBL294616
IUPHAR	N/A
BindingDB	50001683
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
202136	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
202139	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
202140	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
202142	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
202143	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
202137	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
202138	Mu-type opioid receptor	P42866	Oprm1	Mus musculus (Mouse)	398
202141	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
202144	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
202145	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401
202146	Nociceptin receptor	P41146	OPRL1	Homo sapiens (Human)	370

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