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Ligand

NameCHEMBL3823576
Molecular formulaC153H233N43O47
IUPAC name(4S)-5-[[1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3426.8
Hydrogen bond acceptor52
Hydrogen bond donor50
XlogP-12.9
SynonymsBDBM50184306
Inchi KeyLLBLCDJVBVHYMQ-LZYMJWHJSA-N
Inchi IDInChI=1S/C153H233N43O47/c1-18-22-39-91(176-132(223)94(44-46-115(206)207)177-140(231)105(60-117(210)211)188-147(238)109(69-198)191-136(227)98(52-82-34-25-23-26-35-82)182-146(237)108(68-197)173-114(205)67-167-129(220)104(59-116(208)209)172-113(204)66-166-128(219)88(155)55-85-64-162-70-168-85)130(221)184-101(56-86-65-163-71-169-86)145(236)196-124(81(17)200)152(243)194-122(77(13)21-4)150(241)189-96(50-73(7)8)135(226)187-107(62-119(214)215)142(233)185-102(57-111(157)202)138(229)179-95(49-72(5)6)134(225)171-78(14)126(217)170-79(15)127(218)175-92(42-33-48-164-153(160)161)131(222)186-106(61-118(212)213)141(232)181-99(53-83-36-27-24-28-37-83)144(235)193-121(76(12)20-3)149(240)190-103(58-112(158)203)139(230)183-100(54-84-63-165-89-40-30-29-38-87(84)89)137(228)180-97(51-74(9)10)143(234)192-120(75(11)19-2)148(239)178-93(43-45-110(156)201)133(224)195-123(80(16)199)151(242)174-90(125(159)216)41-31-32-47-154/h23-30,34-38,40,63-65,70-81,88,90-109,120-124,165,197-200H,18-22,31-33,39,41-62,66-69,154-155H2,1-17H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,216)(H,162,168)(H,163,169)(H,166,219)(H,167,220)(H,170,217)(H,171,225)(H,172,204)(H,173,205)(H,174,242)(H,175,218)(H,176,223)(H,177,231)(H,178,239)(H,179,229)(H,180,228)(H,181,232)(H,182,237)(H,183,230)(H,184,221)(H,185,233)(H,186,222)(H,187,226)(H,188,238)(H,189,241)(H,190,240)(H,191,227)(H,192,234)(H,193,235)(H,194,243)(H,195,224)(H,196,236)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,160,161,164)/t75-,76-,77-,78-,79-,80+,81+,88-,90-,91?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,102-,103-,104-,105-,106-,107-,108-,109-,120-,121-,122-,123-,124-/m0/s1
PubChem CID127048242
ChEMBLCHEMBL3823576
IUPHARN/A
BindingDB50184306
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
526954Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
526955Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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