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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

NameCHEMBL2324949
Molecular formulaC93H150N24O21
IUPAC name(2S)-N-[(2S)-1-[[(3S,6S,12S,16E,21S)-21-[[2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]-6-[(4-hydroxyphenyl)methyl]-12,21-dimethyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-12-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 weight1940.37
Hydrogen bond acceptor26
Hydrogen bond donor26
XlogP-1.6
SynonymsBDBM50426598
Inchi KeyKUXHDYOSWPUVOX-LUGTZLNTSA-N
Inchi IDInChI=1S/C93H150N24O21/c1-54(2)44-66(112-89(136)77(56(5)119)114-85(132)69(105-74(122)50-100-8)47-58-49-101-61-27-14-13-26-60(58)61)82(129)111-70(48-73(98)121)84(131)113-71(53-118)87(134)116-92(6)37-19-11-9-10-12-20-38-93(7,115-86(133)67(45-55(3)4)110-83(130)68(104-75(123)51-102-90(92)137)46-57-33-35-59(120)36-34-57)91(138)103-52-76(124)117-43-25-32-72(117)88(135)109-65(31-18-24-42-97)81(128)108-64(30-17-23-41-96)80(127)107-63(29-16-22-40-95)79(126)106-62(78(99)125)28-15-21-39-94/h9-10,13-14,26-27,33-36,49,54-56,62-72,77,100-101,118-120H,11-12,15-25,28-32,37-48,50-53,94-97H2,1-8H3,(H2,98,121)(H2,99,125)(H,102,137)(H,103,138)(H,104,123)(H,105,122)(H,106,126)(H,107,127)(H,108,128)(H,109,135)(H,110,130)(H,111,129)(H,112,136)(H,113,131)(H,114,132)(H,115,133)(H,116,134)/b10-9+/t56-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,77+,92+,93+/m1/s1
PubChem CID71720536
ChEMBLCHEMBL2324949
IUPHARN/A
BindingDB50426598
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
Ki37.5 nMPMID23176753ChEMBL
Ki38.0 nMPMID23176753BindingDB

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