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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	FK 224
Molecular formula	C54H72N8O13
IUPAC name	N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamide
Molecular weight	1041.21
Hydrogen bond acceptor	13
Hydrogen bond donor	10
XlogP	4.9
Synonyms	FR-115224 NSC_6437864 CAS_6437864 L-Serine, N-(N2-(N-(N-(N-(alpha,beta-didehydro-N-methyl-N-(N-(1-oxo-3-(2-pentylphenyl)propyl)-L-threonyl)tyrosyl)-L-leucyl)-D-phenylalanyl)-L-allothreonyl)-L-asparaginyl)-, nu-lactone FK-224 N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamide AC1O5OJO GTPL2103 D02FIJ L003301 125787-94-2 FK224 N-[(18Z)-6-(2-amino-2-oxoethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanam BDBM84954 L-Serine, N-(1-oxo-3-(2-pentylphenyl)propyl)-L-threonyl-(alphaE)-alpha,beta-didehydro-N-methyltyrosyl-L-leucyl-D-phenylalanyl-L-allothreonyl-L-asparaginyl-, (7-1)-lactone N-(N(2)-(N-(N-(N-(2,3-Didehydro-N-methyl-N-(N-(3-(2-pentylphenyl)-propionyl)-L-threonyl)tyrosyl-L-leucyl)-D-phenylalanyl)-L-allo-threonyl)-L-asparaginyl))-L-serine-epsilon-lactone [ Show all ]
Inchi Key	BEWCDVTWUFJSSM-MBMPTNJISA-N
Inchi ID	InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b43-28-
PubChem CID	6437864
ChEMBL	N/A
IUPHAR	2103
BindingDB	N/A
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
553345	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
553344	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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