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GPCR

NameGalanin receptor type 1
SpeciesHomo sapiens (Human)
GeneGALR1
SynonymGAL1-R
GALNR
GALNR1
GALR-1
GAL1 receptor
DiseaseEpileptic seizures
Length349
Amino acid sequenceMELAVGNLSEGNASWPEPPAPEPGPLFGIGVENFVTLVVFGLIFALGVLGNSLVITVLARSKPGKPRSTTNLFILNLSIADLAYLLFCIPFQATVYALPTWVLGAFICKFIHYFFTVSMLVSIFTLAAMSVDRYVAIVHSRRSSSLRVSRNALLGVGCIWALSIAMASPVAYHQGLFHPRASNQTFCWEQWPDPRHKKAYVVCTFVFGYLLPLLLICFCYAKVLNHLHKKLKNMSKKSEASKKKTAQTVLVVVVVFGISWLPHHIIHLWAEFGVFPLTPASFLFRITAHCLAYSNSSVNPIIYAFLSENFRKAYKQVFKCHIRKDSHLSDTKESKSRIDTPPSTNCTHV
UniProtP47211
Protein Data BankN/A
GPCR-HGmod modelP47211
3D structure modelThis predicted structure model is from GPCR-EXP P47211.
BioLiPN/A
Therapeutic Target DatabaseT78581
ChEMBLCHEMBL4894
IUPHAR243
DrugBankN/A

Ligand

NameGalanin (3-29), porcine
Molecular formulaC133H199N39O39
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
Molecular weight2968.29
Hydrogen bond acceptor45
Hydrogen bond donor42
XlogP-11.7
SynonymsBDBM85170
Inchi KeyLDEAEHIIHOWDLI-MBCAHCKDSA-N
Inchi IDInChI=1S/C133H199N39O39/c1-15-68(10)108(171-110(188)70(12)151-116(194)90(46-76-53-140-61-147-76)166-129(207)99-27-22-38-172(99)104(182)58-146-111(189)83(39-64(2)3)157-117(195)85(41-66(6)7)158-119(197)88(45-75-30-34-80(177)35-31-75)154-102(180)56-144-109(187)69(11)150-127(205)97(59-173)170-124(202)94(50-101(136)179)163-118(196)86(42-67(8)9)167-130(208)107(137)72(14)175)131(209)168-96(52-106(185)186)126(204)164-93(49-100(135)178)123(201)162-91(47-77-54-141-62-148-77)121(199)156-82(26-21-37-143-133(138)139)114(192)169-98(60-174)128(206)160-89(43-73-23-17-16-18-24-73)120(198)161-92(48-78-55-142-63-149-78)122(200)165-95(51-105(183)184)125(203)155-81(25-19-20-36-134)113(191)159-87(44-74-28-32-79(176)33-29-74)112(190)145-57-103(181)153-84(40-65(4)5)115(193)152-71(13)132(210)211/h16-18,23-24,28-35,53-55,61-72,81-99,107-108,173-177H,15,19-22,25-27,36-52,56-60,134,137H2,1-14H3,(H2,135,178)(H2,136,179)(H,140,147)(H,141,148)(H,142,149)(H,144,187)(H,145,190)(H,146,189)(H,150,205)(H,151,194)(H,152,193)(H,153,181)(H,154,180)(H,155,203)(H,156,199)(H,157,195)(H,158,197)(H,159,191)(H,160,206)(H,161,198)(H,162,201)(H,163,196)(H,164,204)(H,165,200)(H,166,207)(H,167,208)(H,168,209)(H,169,192)(H,170,202)(H,171,188)(H,183,184)(H,185,186)(H,210,211)(H4,138,139,143)/t68?,69-,70-,71-,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96?,97-,98-,99-,107-,108-/m0/s1
PubChem CID91898927
ChEMBLN/A
IUPHARN/A
BindingDB85170
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID9880084BindingDB

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