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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	ICI 174,864
Molecular formula	C38H53N5O7
IUPAC name	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight	691.87
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	2.8
Synonyms	L-Leucine,N,N-di-2-propen-1-yl-L-tyrosyl-2-methylalanyl-L-phenylalanyl- BDBM50006946 N,N-diallyl-Tyr-Aib-Aib-Phe-Leu ICI-164864 Y-100013 MolPort-023-275-937 N,N-Diallyl-tyr-aib-aib-phe-leu-OH (2S,5S,14S)-15-allyl-5-benzyl-14-(4-hydroxybenzyl)-2-isobutyl-8,8,11,11-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12,15-pentaazaoctadec-17-en-1-oic acid Ici 174,865 L-Leucine, N-(N-(N-(N-(N,N-di-2-propenyl-L-tyrosyl)-2-methylalanyl)-2-methylalanyl)-L-phenylalanyl)- ZINC3935022 AKOS024458657 N,N-Bisallyl-L-Tyr-2-methyl-L-Ala-2-methyl-L-Ala-L-Phe-L-Leu-OH CHEMBL47545 Ici 174865 N-(N-(N-(N-(N,N-di-2-Propenyl-L-tyrosyl)-2-methylalanyl)-2-methylalanyl)-L-phenylalanyl)-L-leucine 2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propionylamino}-2-methyl-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid [ Show all ]
Inchi Key	XUWLAGNFLUARAN-CHQNGUEUSA-N
Inchi ID	InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
PubChem CID	44149909
ChEMBL	CHEMBL47545
IUPHAR	N/A
BindingDB	50006946
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
401512	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
401513	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
401519	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
401511	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
401517	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
401514	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401
401515	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
401516	Mu-type opioid receptor	P42866	Oprm1	Mus musculus (Mouse)	398
401518	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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