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Ligand

NameCHEMBL460706
Molecular formulaC98H161N23O23
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)-6-(decanoylamino)-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]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 weight2029.5
Hydrogen bond acceptor27
Hydrogen bond donor25
XlogP1.9
Synonyms(Sar)WTLNSAGYLLGPKK(Lys-decanoyl)K
BDBM50293029
D05GFD
Inchi KeyPSJWDZZPEFDHOW-QSNPNBGOSA-N
Inchi IDInChI=1S/C98H161N23O23/c1-11-12-13-14-15-16-17-36-80(126)105-44-27-23-34-69(88(133)111-67(85(103)130)31-20-24-41-99)113-89(134)68(32-21-25-42-100)112-90(135)70(33-22-26-43-101)114-96(141)77-35-28-45-121(77)82(128)54-108-87(132)71(46-57(2)3)115-91(136)72(47-58(4)5)116-93(138)74(49-62-37-39-64(124)40-38-62)110-81(127)53-107-86(131)60(8)109-95(140)76(56-122)119-94(139)75(51-79(102)125)117-92(137)73(48-59(6)7)118-98(143)84(61(9)123)120-97(142)78(144-83(129)55-104-10)50-63-52-106-66-30-19-18-29-65(63)66/h18-19,29-30,37-40,52,57-61,67-78,84,104,106,122-124H,11-17,20-28,31-36,41-51,53-56,99-101H2,1-10H3,(H2,102,125)(H2,103,130)(H,105,126)(H,107,131)(H,108,132)(H,109,140)(H,110,127)(H,111,133)(H,112,135)(H,113,134)(H,114,141)(H,115,136)(H,116,138)(H,117,137)(H,118,143)(H,119,139)(H,120,142)/t60-,61+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,84-/m0/s1
PubChem CID44563953
ChEMBLCHEMBL460706
IUPHARN/A
BindingDB50293029
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
267668Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
267669Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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