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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	NEUROKININ A
Molecular formula	C50H80N14O14S
IUPAC name	(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-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-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	CHEMBL217406 Neurokinin alpha (porcine) 86933-74-6 His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH(2) Neurokinin A (porcine) NKA AC1NSKEQ Kassinin, 1-de-L-aspartic acid-2-de-L-valine-3-L-histidine-5-L-threonine-7-L-serine- Neurokinin alpha UNII-94168F9W1D BDBM50001447 D01NPA Neurokinin A (alligator) Neuromedin L 88507-24-8 His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2 Neurokinin A (Python molurus) Porcine neurokinin A AKOS024456420 L-Methioninamide, L-histidyl-L-lysyl-L-threonyl-L-alpha-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl- Neurokinin alpha (pig spinal cord) GTPL2089 Neurokinin A (pig spinal cord) Neuromedin L (pig spinal cord) 94168F9W1D His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2(NeurokininA) Neurokinin A (swine spinal cord) Substance K 144747-18-2 ALPHA NEUROKININ [ Show all ]
Inchi Key	HEAUFJZALFKPBA-JPQUDPSNSA-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)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
PubChem CID	5311311
ChEMBL	CHEMBL217406
IUPHAR	2089
BindingDB	50001447
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
112520	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
112524	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
553819	Neuromedin-K receptor	P47937	Tacr3	Mus musculus (Mouse)	452
112521	Substance-K receptor	Q64077	TACR2	Cavia porcellus (Guinea pig)	402
112525	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
112526	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
112529	Substance-K receptor	P51144	TACR2	Mesocricetus auratus (Golden hamster)	384
112522	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
112527	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
112528	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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