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Ligand

NameCHEMBL3824332
Molecular formulaC175H260ClN43O52
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]-3-(3-chlorophenyl)-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 weight3833.7
Hydrogen bond acceptor56
Hydrogen bond donor53
XlogP-8.2
SynonymsBDBM50183672
Inchi KeyGVSOLCMWNQVQHF-NZPSGTDLSA-N
Inchi IDInChI=1S/C175H260ClN43O52/c1-21-26-51-106(195-151(248)110(56-58-131(229)230)196-160(257)122(74-134(235)236)209-167(264)126(82-221)212-157(254)116(66-97-44-32-28-33-45-97)205-166(263)125(81-220)193-130(228)80-188-148(245)121(73-133(233)234)192-129(227)79-187-147(244)104(178)70-102-78-184-83-189-102)149(246)202-118(68-99-48-40-49-101(176)64-99)165(262)218-143(95(20)224)174(271)216-139(89(14)24-4)170(267)210-113(62-85(8)9)155(252)208-124(76-136(239)240)162(259)203-115(65-96-42-30-27-31-43-96)156(253)200-112(61-84(6)7)154(251)191-91(16)145(242)190-92(17)146(243)194-108(54-41-60-185-175(182)183)150(247)207-123(75-135(237)238)161(258)204-117(67-98-46-34-29-35-47-98)164(261)215-138(88(13)23-3)169(266)211-120(71-128(180)226)159(256)206-119(69-100-77-186-105-52-37-36-50-103(100)105)158(255)201-114(63-86(10)11)163(260)214-137(87(12)22-2)168(265)198-109(55-57-127(179)225)153(250)217-141(93(18)222)172(269)197-107(53-38-39-59-177)152(249)213-140(90(15)25-5)171(268)219-142(94(19)223)173(270)199-111(144(181)241)72-132(231)232/h27-37,40,42-50,52,64,77-78,83-95,104,106-126,137-143,186,220-224H,21-26,38-39,41,51,53-63,65-76,79-82,177-178H2,1-20H3,(H2,179,225)(H2,180,226)(H2,181,241)(H,184,189)(H,187,244)(H,188,245)(H,190,242)(H,191,251)(H,192,227)(H,193,228)(H,194,243)(H,195,248)(H,196,257)(H,197,269)(H,198,265)(H,199,270)(H,200,253)(H,201,255)(H,202,246)(H,203,259)(H,204,258)(H,205,263)(H,206,256)(H,207,247)(H,208,252)(H,209,264)(H,210,267)(H,211,266)(H,212,254)(H,213,249)(H,214,260)(H,215,261)(H,216,271)(H,217,250)(H,218,262)(H,219,268)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,182,183,185)/t87-,88-,89-,90-,91-,92-,93+,94+,95+,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 CID127048585
ChEMBLCHEMBL3824332
IUPHARN/A
BindingDB50183672
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
524623Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
524624Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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