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Ligand

NameM-40
Molecular formulaC94H145N23O24
IUPAC name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-N-[(2S)-1,3-dihydroxy-1-[(2S)-1-hydroxy-1-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[2-[(2S)-2-[(2S)-2-[(2S)-2-[C-hydroxy-N-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-iminopropan-2-yl]imino-4-methylpentan-2-yl]iminopropan-2-yl]imino-4-methylpentan-2-yl]iminopropan-2-yl]carbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]imino-4-methylpentan-2-yl]imino-4-methylpentan-2-yl]imino-3-(4-hydroxyphenyl)propan-2-yl]iminoethyl]iminopropan-2-yl]iminopropan-2-yl]butanediimidic acid
Molecular weight1981.33
Hydrogen bond acceptor43
Hydrogen bond donor25
XlogP9.8
SynonymsN/A
Inchi KeyOSGCBUDLRBUEGW-JZCUZNMGSA-N
Inchi IDInChI=1S/C94H145N23O24/c1-46(2)33-61(82(129)100-44-76(124)115-30-19-24-71(115)93(140)117-32-20-25-72(117)94(141)116-31-18-23-70(116)91(138)104-54(14)81(128)108-63(35-48(5)6)84(131)103-53(13)80(127)107-62(34-47(3)4)83(130)101-51(11)78(97)125)109-85(132)64(36-49(7)8)110-87(134)66(38-56-26-28-58(120)29-27-56)106-75(123)43-99-79(126)52(12)102-90(137)69(45-118)113-88(135)68(40-73(96)121)111-86(133)65(37-50(9)10)112-92(139)77(55(15)119)114-89(136)67(105-74(122)41-95)39-57-42-98-60-22-17-16-21-59(57)60/h16-17,21-22,26-29,42,46-55,61-72,77,98,118-120H,18-20,23-25,30-41,43-45,95H2,1-15H3,(H2,96,121)(H2,97,125)(H,99,126)(H,100,129)(H,101,130)(H,102,137)(H,103,131)(H,104,138)(H,105,122)(H,106,123)(H,107,127)(H,108,128)(H,109,132)(H,110,134)(H,111,133)(H,112,139)(H,113,135)(H,114,136)/t51-,52-,53-,54-,55+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-/m0/s1
PubChem CID101218346
ChEMBLCHEMBL604990
IUPHARN/A
BindingDB50307254
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.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
249176Galanin receptor type 1Q62805Galr1Rattus norvegicus (Rat)346
249177Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
249178Galanin receptor type 2O08726Galr2Rattus norvegicus (Rat)372
249181Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
249179Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
249180Galanin receptor type 3O88626Galr3Rattus norvegicus (Rat)370

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