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Ligand

NameCHEMBL3824232
Molecular formulaC175H261N43O52
IUPAC name(4S)-5-[[1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-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)-6-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-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-oxo-3-phenylpropan-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]-1-oxo-3-phenylpropan-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 weight3799.26
Hydrogen bond acceptor56
Hydrogen bond donor53
XlogP-8.9
SynonymsBDBM50183659
Inchi KeyAHJIBYSIEZYEBH-YLTAUJTMSA-N
Inchi IDInChI=1S/C175H261N43O52/c1-21-26-53-106(194-151(247)110(58-60-131(228)229)195-160(256)122(75-134(234)235)208-167(263)126(83-220)211-157(253)116(67-98-46-33-28-34-47-98)204-166(262)125(82-219)192-130(227)81-187-148(244)121(74-133(232)233)191-129(226)80-186-147(243)104(177)71-102-79-183-84-188-102)149(245)201-118(69-100-50-37-30-38-51-100)165(261)217-143(96(20)223)174(270)215-139(90(14)24-4)170(266)209-113(64-86(8)9)155(251)207-124(77-136(238)239)162(258)202-115(66-97-44-31-27-32-45-97)156(252)199-112(63-85(6)7)154(250)190-92(16)145(241)189-93(17)146(242)193-108(56-43-62-184-175(181)182)150(246)206-123(76-135(236)237)161(257)203-117(68-99-48-35-29-36-49-99)164(260)214-138(89(13)23-3)169(265)210-120(72-128(179)225)159(255)205-119(70-101-78-185-105-54-40-39-52-103(101)105)158(254)200-114(65-87(10)11)163(259)213-137(88(12)22-2)168(264)197-109(57-59-127(178)224)153(249)216-141(94(18)221)172(268)196-107(55-41-42-61-176)152(248)212-140(91(15)25-5)171(267)218-142(95(19)222)173(269)198-111(144(180)240)73-132(230)231/h27-40,44-52,54,78-79,84-96,104,106-126,137-143,185,219-223H,21-26,41-43,53,55-77,80-83,176-177H2,1-20H3,(H2,178,224)(H2,179,225)(H2,180,240)(H,183,188)(H,186,243)(H,187,244)(H,189,241)(H,190,250)(H,191,226)(H,192,227)(H,193,242)(H,194,247)(H,195,256)(H,196,268)(H,197,264)(H,198,269)(H,199,252)(H,200,254)(H,201,245)(H,202,258)(H,203,257)(H,204,262)(H,205,255)(H,206,246)(H,207,251)(H,208,263)(H,209,266)(H,210,265)(H,211,253)(H,212,248)(H,213,259)(H,214,260)(H,215,270)(H,216,249)(H,217,261)(H,218,267)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,181,182,184)/t88-,89-,90-,91-,92-,93-,94+,95+,96+,104-,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,137-,138-,139-,140-,141-,142-,143-/m0/s1
PubChem CID127051393
ChEMBLCHEMBL3824232
IUPHARN/A
BindingDB50183659
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
521623Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
521624Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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