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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	ELEDOISIN
Molecular formula	C54H85N13O15S
IUPAC name	(3S)-3-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-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-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1188.41
Hydrogen bond acceptor	17
Hydrogen bond donor	14
XlogP	-3.6
Synonyms	ELD 950 Eledoisine NCGC00167276-01 69-25-0 BRN 4796573 D0U9IB Eledoisin (INN) Eledone peptide OKY3285J18 069E250 CAS-69-25-0 DSSTox_RID_82022 Eledoisina GTPL2086 UNII-OKY3285J18 5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide CHEMBL373569 ELD-950 Eledoisine [INN-French] NTOC00000202-01 AKOS024456851 C20029 DSSTox_CID_26926 Eledoisin Acetate FI 6225 TF/Ocoa SCHEMBL158143 076E373 CHEBI:135903 DTXSID1046926 Eledoisina [INN-Spanish] MFCD00076373 D07936 Eledoisinum O290 BDBM50194558 C54H85N13O15S DSSTox_GSID_46926 Eledoisin [INN] FT-0654998 Tox21_112815 [ Show all ]
Inchi Key	AYLPVIWBPZMVSH-FCKMLYJASA-N
Inchi ID	InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1
PubChem CID	10328936
ChEMBL	CHEMBL373569
IUPHAR	2086
BindingDB	50194558
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
17564	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
17568	Neuromedin-K receptor	P30098	TACR3	Cavia porcellus (Guinea pig)	440
17565	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
17567	Substance-K receptor	Q64077	TACR2	Cavia porcellus (Guinea pig)	402
17563	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
17566	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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