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Ligand

NameCHEMBL1791248
Molecular formulaC147H242N44O42S
IUPAC name(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3329.88
Hydrogen bond acceptor49
Hydrogen bond donor49
XlogP-14.0
SynonymsN/A
Inchi KeyLNESWHVJBWHYMY-CRRJQSOWSA-N
Inchi IDInChI=1S/C147H242N44O42S/c1-19-75(12)114(189-120(209)79(16)166-131(220)102(65-111(202)203)177-119(208)77(14)165-121(210)86(150)61-82-39-43-84(196)44-40-82)143(232)183-100(62-81-32-23-22-24-33-81)136(225)191-116(80(17)195)144(233)184-101(64-109(153)200)135(224)187-106(70-194)140(229)180-99(63-83-41-45-85(197)46-42-83)134(223)174-92(38-31-56-163-147(159)160)126(215)173-90(35-26-28-53-149)130(219)188-113(74(10)11)141(230)182-96(58-71(4)5)122(211)164-67-110(201)168-93(47-49-107(151)198)127(216)179-98(60-73(8)9)133(222)186-104(68-192)138(227)167-78(15)118(207)171-91(37-30-55-162-146(157)158)125(214)172-89(34-25-27-52-148)124(213)169-87(21-3)123(212)178-97(59-72(6)7)132(221)175-94(48-50-108(152)199)128(217)181-103(66-112(204)205)137(226)190-115(76(13)20-2)142(231)176-95(51-57-234-18)129(218)185-105(69-193)139(228)170-88(117(154)206)36-29-54-161-145(155)156/h22-24,32-33,39-46,71-80,86-106,113-116,192-197H,19-21,25-31,34-38,47-70,148-150H2,1-18H3,(H2,151,198)(H2,152,199)(H2,153,200)(H2,154,206)(H,164,211)(H,165,210)(H,166,220)(H,167,227)(H,168,201)(H,169,213)(H,170,228)(H,171,207)(H,172,214)(H,173,215)(H,174,223)(H,175,221)(H,176,231)(H,177,208)(H,178,212)(H,179,216)(H,180,229)(H,181,217)(H,182,230)(H,183,232)(H,184,233)(H,185,218)(H,186,222)(H,187,224)(H,188,219)(H,189,209)(H,190,226)(H,191,225)(H,202,203)(H,204,205)(H4,155,156,161)(H4,157,158,162)(H4,159,160,163)/t75-,76-,77-,78-,79-,80+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-/m0/s1
PubChem CID56668084
ChEMBLCHEMBL1791248
IUPHARN/A
BindingDBN/A
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
191616Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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