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GPCR

Name	Substance-K receptor
Species	Rattus norvegicus (Rat)
Gene	Tacr2
Synonym	TAC2R Substance K receptor SP-E receptor SKR NKNAR NK2 receptor NK-2R NK-2 receptor Neurokinin B receptor Neurokinin A receptor Tachykinin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProt	P16610
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4554
IUPHAR	361
DrugBank	N/A

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	GTPL2089 Neurokinin A (pig spinal cord) Neuromedin L (pig spinal cord) 94168F9W1D ALPHA NEUROKININ His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2(NeurokininA) Neurokinin A (swine spinal cord) Substance K 144747-18-2 CHEMBL217406 Neurokinin alpha (porcine) 86933-74-6 AC1NSKEQ His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH(2) Neurokinin A (porcine) NKA BDBM50001447 Kassinin, 1-de-L-aspartic acid-2-de-L-valine-3-L-histidine-5-L-threonine-7-L-serine- Neurokinin alpha UNII-94168F9W1D D01NPA Neurokinin A (alligator) Neuromedin L 88507-24-8 AKOS024456420 His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2 Neurokinin A (Python molurus) Porcine neurokinin A L-Methioninamide, L-histidyl-L-lysyl-L-threonyl-L-alpha-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl- Neurokinin alpha (pig spinal cord) [ 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.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.55 nM	PMID19746979	BindingDB,ChEMBL
EC50	1.7 nM	PMID1331460	BindingDB,ChEMBL
EC50	64.8 nM	PMID19746979	BindingDB,ChEMBL

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