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Ligand

NameCHEMBL2369127
Molecular formulaC153H223N41O47S
IUPAC name(4R)-5-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3420.77
Hydrogen bond acceptor52
Hydrogen bond donor51
XlogP-15.7
SynonymsBDBM50051585
[des-His1,Tyr5,Glu9,(2S,3R)-beta-MePhe10]glucagon-NH2
Inchi KeySNCODYSDFYHLPQ-WFHZPOCISA-N
Inchi IDInChI=1S/C153H223N41O47S/c1-74(2)57-100(136(226)177-99(52-56-242-10)135(225)186-108(65-117(159)207)146(236)193-123(78(8)199)125(160)215)180-141(231)107(64-85-68-167-91-28-18-17-27-89(85)91)185-133(223)97(46-50-116(158)206)178-150(240)122(76(5)6)192-144(234)105(59-80-23-13-11-14-24-80)184-142(232)109(66-120(211)212)187-132(222)96(45-49-115(157)205)171-126(216)77(7)169-129(219)93(30-21-54-165-152(161)162)173-130(220)94(31-22-55-166-153(163)164)175-148(238)112(72-197)190-143(233)110(67-121(213)214)188-137(227)101(58-75(3)4)179-139(229)103(62-83-34-40-87(202)41-35-83)181-131(221)92(29-19-20-53-154)174-147(237)111(71-196)189-140(230)104(63-84-36-42-88(203)43-37-84)182-134(224)98(47-51-119(209)210)176-149(239)113(73-198)191-151(241)124(79(9)200)194-145(235)106(60-81-25-15-12-16-26-81)183-138(228)102(61-82-32-38-86(201)39-33-82)170-118(208)69-168-128(218)95(44-48-114(156)204)172-127(217)90(155)70-195/h11-18,23-28,32-43,68,74-79,90,92-113,122-124,167,195-203H,19-22,29-31,44-67,69-73,154-155H2,1-10H3,(H2,156,204)(H2,157,205)(H2,158,206)(H2,159,207)(H2,160,215)(H,168,218)(H,169,219)(H,170,208)(H,171,216)(H,172,217)(H,173,220)(H,174,237)(H,175,238)(H,176,239)(H,177,226)(H,178,240)(H,179,229)(H,180,231)(H,181,221)(H,182,224)(H,183,228)(H,184,232)(H,185,223)(H,186,225)(H,187,222)(H,188,227)(H,189,230)(H,190,233)(H,191,241)(H,192,234)(H,193,236)(H,194,235)(H,209,210)(H,211,212)(H,213,214)(H4,161,162,165)(H4,163,164,166)/t77-,78+,79+,90-,92-,93-,94-,95-,96-,97-,98+,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
PubChem CID73348395
ChEMBLCHEMBL2369127
IUPHARN/A
BindingDB50051585
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
318395Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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