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GLASS

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GPCR

Name	Galanin receptor type 1
Species	Homo sapiens (Human)
Gene	GALR1
Synonym	GAL1-R GALNR GALNR1 GALR-1 GAL1 receptor
Disease	Epileptic seizures
Length	349
Amino acid sequence	MELAVGNLSEGNASWPEPPAPEPGPLFGIGVENFVTLVVFGLIFALGVLGNSLVITVLARSKPGKPRSTTNLFILNLSIADLAYLLFCIPFQATVYALPTWVLGAFICKFIHYFFTVSMLVSIFTLAAMSVDRYVAIVHSRRSSSLRVSRNALLGVGCIWALSIAMASPVAYHQGLFHPRASNQTFCWEQWPDPRHKKAYVVCTFVFGYLLPLLLICFCYAKVLNHLHKKLKNMSKKSEASKKKTAQTVLVVVVVFGISWLPHHIIHLWAEFGVFPLTPASFLFRITAHCLAYSNSSVNPIIYAFLSENFRKAYKQVFKCHIRKDSHLSDTKESKSRIDTPPSTNCTHV
UniProt	P47211
Protein Data Bank	N/A
GPCR-HGmod model	P47211
3D structure model	This predicted structure model is from GPCR-EXP P47211.
BioLiP	N/A
Therapeutic Target Database	T78581
ChEMBL	CHEMBL4894
IUPHAR	243
DrugBank	N/A

Ligand

Name	M35 Peptide
Molecular formula	C107H153N27O26
IUPAC name	(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide
Molecular weight	2233.56
Hydrogen bond acceptor	28
Hydrogen bond donor	27
XlogP	-1.8
Synonyms	M-35 Galanin(1-13)-bradykinin(2-9)amide LS-21574 Galanin-(1-13)-bradykinin-(2-9)-amide M 35 142846-71-7 NCGC00167245-01 D0SV5D L-Argininamide, glycyl-L-tryptophyl-L-threonyl-L-leucyl-L-asparaginyl-L-seryl-L-alanylglycyl-L-tyrosyl-L-leucyl-L-leucylglycyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl- [ Show all ]
Inchi Key	JWMXJVFGTXYBFM-AEXVMZOXSA-N
Inchi ID	InChI=1S/C107H153N27O26/c1-57(2)42-70(123-93(147)71(43-58(3)4)124-95(149)74(47-64-33-35-66(138)36-34-64)121-86(141)52-115-91(145)60(7)118-100(154)78(55-135)128-98(152)77(49-84(109)139)125-94(148)72(44-59(5)6)127-103(157)89(61(8)137)130-99(153)76(119-85(140)50-108)48-65-51-114-68-27-16-15-26-67(65)68)92(146)117-54-88(143)131-38-20-31-82(131)105(159)134-41-21-32-83(134)106(160)133-40-18-29-80(133)101(155)116-53-87(142)120-73(45-62-22-11-9-12-23-62)96(150)129-79(56-136)104(158)132-39-19-30-81(132)102(156)126-75(46-63-24-13-10-14-25-63)97(151)122-69(90(110)144)28-17-37-113-107(111)112/h9-16,22-27,33-36,51,57-61,69-83,89,114,135-138H,17-21,28-32,37-50,52-56,108H2,1-8H3,(H2,109,139)(H2,110,144)(H,115,145)(H,116,155)(H,117,146)(H,118,154)(H,119,140)(H,120,142)(H,121,141)(H,122,151)(H,123,147)(H,124,149)(H,125,148)(H,126,156)(H,127,157)(H,128,152)(H,129,150)(H,130,153)(H4,111,112,113)/t60-,61+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1
PubChem CID	16131186
ChEMBL	CHEMBL503473
IUPHAR	N/A
BindingDB	50273370
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
Kd	0.1 nM	PMID19053761	BindingDB
Kd	0.1 nM	PMID19053761	ChEMBL
Ki	0.01 nM	PMID20121116	BindingDB
Ki	0.01 nM	PMID20121116	ChEMBL
Ki	0.11 nM	PMID9880084	BindingDB
Ki	11.5 nM	PMID9808667	BindingDB
Ki	169.9 nM	PMID9808667	BindingDB

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