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Ligand

NameCHEMBL3822727
Molecular formulaC153H237N41O47
IUPAC name(4S)-5-[[1-[[(2S)-4-amino-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)-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]-4-methyl-1-oxopentan-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]-1,4-dioxobutan-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 weight3402.82
Hydrogen bond acceptor51
Hydrogen bond donor49
XlogP-11.3
SynonymsBDBM50183574
Inchi KeyQDCMKECMGFXMOY-IACZYNGRSA-N
Inchi IDInChI=1S/C153H237N41O47/c1-20-24-41-91(174-132(221)94(46-48-115(204)205)175-140(229)105(62-117(208)209)186-147(236)109(70-196)189-137(226)99(55-83-36-27-25-28-37-83)181-146(235)108(69-195)171-114(203)68-166-129(218)104(61-116(206)207)170-113(202)67-165-128(217)88(155)58-86-66-162-71-167-86)130(219)183-103(60-112(158)201)145(234)194-124(82(19)198)152(241)192-122(78(15)23-4)150(239)187-97(53-74(9)10)136(225)185-107(64-119(212)213)141(230)178-96(52-73(7)8)135(224)177-95(51-72(5)6)134(223)169-79(16)126(215)168-80(17)127(216)173-92(44-35-50-163-153(160)161)131(220)184-106(63-118(210)211)142(231)180-100(56-84-38-29-26-30-39-84)144(233)191-121(77(14)22-3)149(238)188-102(59-111(157)200)139(228)182-101(57-85-65-164-89-42-32-31-40-87(85)89)138(227)179-98(54-75(11)12)143(232)190-120(76(13)21-2)148(237)176-93(45-47-110(156)199)133(222)193-123(81(18)197)151(240)172-90(125(159)214)43-33-34-49-154/h25-32,36-40,42,65-66,71-82,88,90-109,120-124,164,195-198H,20-24,33-35,41,43-64,67-70,154-155H2,1-19H3,(H2,156,199)(H2,157,200)(H2,158,201)(H2,159,214)(H,162,167)(H,165,217)(H,166,218)(H,168,215)(H,169,223)(H,170,202)(H,171,203)(H,172,240)(H,173,216)(H,174,221)(H,175,229)(H,176,237)(H,177,224)(H,178,230)(H,179,227)(H,180,231)(H,181,235)(H,182,228)(H,183,219)(H,184,220)(H,185,225)(H,186,236)(H,187,239)(H,188,238)(H,189,226)(H,190,232)(H,191,233)(H,192,241)(H,193,222)(H,194,234)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,160,161,163)/t76-,77-,78-,79-,80-,81+,82+,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 CID127051710
ChEMBLCHEMBL3822727
IUPHARN/A
BindingDB50183574
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
529361Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
529360Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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