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GPCR

Name	Substance-K receptor
Species	Mesocricetus auratus (Golden hamster)
Gene	TACR2
Synonym	Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2
Disease	N/A for non-human GPCRs
Length	384
Amino acid sequence	MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP
UniProt	P51144
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	CHEMBL2304405
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Substance P
Molecular formula	C63H98N18O13S
IUPAC name	(2S)-2-[[(2S)-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-[[(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]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular weight	1347.65
Hydrogen bond acceptor	17
Hydrogen bond donor	15
XlogP	-2.3
Synonyms	l-arginyl-l-prolyl-l-lysyl-l-prolyl-l-glutaminyl-l-glutaminyl-l-phenylalanyl-l-phenylalanylglycyl-l-leucyl-l-methioninamide Substance P (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-MetNH2) 33507-63-0 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine EINECS 251-545-8 NCGC00167123-01 tachykinin substance P (SP) (SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 AC1L1VX3 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.(Substance P) C63H98N18O13S H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 SCHEMBL1116347 2053AH AKOS024456424 CHEMBL235363 LS-147256 Substance P analogue Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 ArgProLysProGlnGlnPhePheGlyLeuMet GTPL2098 Neurokinin P UNII-675VGV5J1D 11035-08-8 AC1Q5IQE CCRIS 7229 H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P) Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met NH2 D0J8SU MolPort-023-276-010 Substanz-P 675VGV5J1D Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(substance P) BDBM50001450 H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-D-Phe-Gly-Leu-Met-NH2 P substance 12769-48-1 ADNPLDHMAVUMIW-CUZNLEPHSA-N [ Show all ]
Inchi Key	ADNPLDHMAVUMIW-CUZNLEPHSA-N
Inchi ID	InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PubChem CID	36511
ChEMBL	CHEMBL235363
IUPHAR	2098
BindingDB	50001450
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
IC50	148.0 nM	PMID1331450	BindingDB,ChEMBL

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