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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	Ac-YK[CEHdFRWC]-NH2
Molecular formula	C60H79N17O13S2
IUPAC name	3-[(4S,7R,10S,13S,16S,19R,22S)-22-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-13-benzyl-4-carbamoyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-19-yl]propanoic acid
Molecular weight	1310.52
Hydrogen bond acceptor	18
Hydrogen bond donor	17
XlogP	-3.3
Synonyms	CHEMBL412495 BDBM50165937 D09OMI
Inchi Key	ASUAOIWGQADQOH-PYPSSTHSSA-N
Inchi ID	InChI=1S/C60H79N17O13S2/c1-33(78)69-44(25-35-16-18-38(79)19-17-35)55(86)70-41(14-7-8-22-61)53(84)77-49-31-92-91-30-48(51(62)82)76-57(88)46(26-36-28-67-40-13-6-5-12-39(36)40)74-52(83)42(15-9-23-66-60(63)64)71-56(87)45(24-34-10-3-2-4-11-34)73-58(89)47(27-37-29-65-32-68-37)75-54(85)43(72-59(49)90)20-21-50(80)81/h2-6,10-13,16-19,28-29,32,41-49,67,79H,7-9,14-15,20-27,30-31,61H2,1H3,(H2,62,82)(H,65,68)(H,69,78)(H,70,86)(H,71,87)(H,72,90)(H,73,89)(H,74,83)(H,75,85)(H,76,88)(H,77,84)(H,80,81)(H4,63,64,66)/t41-,42-,43+,44-,45-,46+,47-,48+,49+/m0/s1
PubChem CID	44400400
ChEMBL	CHEMBL412495
IUPHAR	N/A
BindingDB	50165937
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
13528	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
13526	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
13525	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
13527	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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