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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

NameCID 25180486
Molecular formulaC95H150N22O21
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-(hexadecanoylamino)-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]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]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]butanediamide
Molecular weight1936.38
Hydrogen bond acceptor23
Hydrogen bond donor23
XlogP5.3
SynonymsN/A
Inchi KeyKIBFTRZSIFTOGK-OOFOAJPUSA-N
Inchi IDInChI=1S/C95H150N22O21/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-34-78(122)100-39-28-27-32-67(83(97)126)109-85(128)59(9)106-87(130)73(46-63-49-99-54-104-63)113-94(137)76-33-29-40-117(76)81(125)52-103-86(129)68(41-55(2)3)110-88(131)69(42-56(4)5)111-90(133)71(44-61-35-37-64(120)38-36-61)107-80(124)51-102-84(127)58(8)105-93(136)75(53-118)115-91(134)74(47-77(96)121)112-89(132)70(43-57(6)7)114-95(138)82(60(10)119)116-92(135)72(108-79(123)50-98-11)45-62-48-101-66-31-26-25-30-65(62)66/h25-26,30-31,35-38,48-49,54-60,67-76,82,98,101,118-120H,12-24,27-29,32-34,39-47,50-53H2,1-11H3,(H2,96,121)(H2,97,126)(H,99,104)(H,100,122)(H,102,127)(H,103,129)(H,105,136)(H,106,130)(H,107,124)(H,108,123)(H,109,128)(H,110,131)(H,111,133)(H,112,132)(H,113,137)(H,114,138)(H,115,134)(H,116,135)/t58-,59-,60+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-/m0/s1
PubChem CID25180486
ChEMBLCHEMBL526862
IUPHARN/A
BindingDB50273352
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki85.0 nMPMID19053761BindingDB,ChEMBL

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