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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

NameCHEMBL507353
Molecular formulaC104H173N23O23
IUPAC name[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-6-(hexadecanoylamino)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-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]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)acetate
Molecular weight2113.67
Hydrogen bond acceptor27
Hydrogen bond donor25
XlogP5.1
SynonymsBDBM50293026
D0EO5F
(Sar)WTLNSAGYLLGPKK(Lys-palmitoyl)K
Inchi KeyJPTGYQMVTVXYRV-CMDPNKGGSA-N
Inchi IDInChI=1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)111-50-33-29-40-75(94(139)117-73(91(109)136)37-26-30-47-105)119-95(140)74(38-27-31-48-106)118-96(141)76(39-28-32-49-107)120-102(147)83-41-34-51-127(83)88(134)60-114-93(138)77(52-63(2)3)121-97(142)78(53-64(4)5)122-99(144)80(55-68-43-45-70(130)46-44-68)116-87(133)59-113-92(137)66(8)115-101(146)82(62-128)125-100(145)81(57-85(108)131)123-98(143)79(54-65(6)7)124-104(149)90(67(9)129)126-103(148)84(150-89(135)61-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H2,109,136)(H,111,132)(H,113,137)(H,114,138)(H,115,146)(H,116,133)(H,117,139)(H,118,141)(H,119,140)(H,120,147)(H,121,142)(H,122,144)(H,123,143)(H,124,149)(H,125,145)(H,126,148)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
PubChem CID44563956
ChEMBLCHEMBL507353
IUPHARN/A
BindingDB50293026
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
Ki3.5 nMPMID19199479BindingDB,ChEMBL

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