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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	CHEMBL405422
Molecular formula	C60H100N18O13S2
IUPAC name	(2S)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-3-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular weight	1345.69
Hydrogen bond acceptor	18
Hydrogen bond donor	15
XlogP	-3.0
Synonyms	BDBM50030166 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(S-Me)-Gly-Leu-Met
Inchi Key	KTQLHGMKWNACND-LLTFUCSQSA-N
Inchi ID	InChI=1S/C60H100N18O13S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-5)70-47(81)33-69-56(89)48(60(3,4)93-6)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
PubChem CID	44288033
ChEMBL	CHEMBL405422
IUPHAR	N/A
BindingDB	50030166
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
177952	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
177953	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
177951	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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