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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	Substance K
Molecular formula	C50H80N14O14S
IUPAC name	3-[[2-[[6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1133.33
Hydrogen bond acceptor	18
Hydrogen bond donor	16
XlogP	-4.8
Synonyms	His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2 NSC_55582 alpha-Neurokinin NEUROKININ A Neuromedin L 86933-74-6 LS-187058 BDBM81942 Neurokinin A, >=97% (HPLC) 3-[[2-[[6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]am CHEMBL3969255 Neuromedin L. AC1L1JCK LS-187668 CAS_55582 Neurokinin alpha [ Show all ]
Inchi Key	HEAUFJZALFKPBA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)
PubChem CID	55582
ChEMBL	CHEMBL3969255
IUPHAR	N/A
BindingDB	81942
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
112532	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
112530	Substance-K receptor	P51144	TACR2	Mesocricetus auratus (Golden hamster)	384
112533	Substance-K receptor	Q64077	TACR2	Cavia porcellus (Guinea pig)	402
112534	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
112536	Substance-K receptor	P05363	TACR2	Bos taurus (Bovine)	384
555910	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
112535	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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