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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	CHEMBL437242
Molecular formula	C46H73N15O9
IUPAC name	(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide
Molecular weight	980.186
Hydrogen bond acceptor	12
Hydrogen bond donor	14
XlogP	-2.1
Synonyms	2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-5-guanidino-pentanoylamino)-5-guanidino-pentanoylamino]-3-methyl-pentanoic acid amide BDBM50010538
Inchi Key	ALYDWGRDFMLDRH-VORHEVMJSA-N
Inchi ID	InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1
PubChem CID	44307234
ChEMBL	CHEMBL437242
IUPHAR	N/A
BindingDB	50010538
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. 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
8666	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
8668	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
8665	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
8667	Kappa-type opioid receptor	P33534	Oprk1	Mus musculus (Mouse)	380
8664	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98

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