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Ligand

NameCID 44298170
Molecular formulaC149H244N46O39S
IUPAC name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular weight3335.93
Hydrogen bond acceptor47
Hydrogen bond donor48
XlogP-11.3
SynonymsN/A
Inchi KeyLQUDUGGQXIUMPU-TUSZIHRSSA-N
Inchi IDInChI=1S/C149H244N46O39S/c1-20-77(12)115(192-122(211)82(17)171-132(221)107(67-114(206)207)180-120(209)80(15)151)143(232)189-104(62-84-32-24-23-25-33-84)139(228)195-118(83(18)198)145(234)191-109(71-197)141(230)190-108(70-196)140(229)185-103(64-86-41-45-89(200)46-42-86)136(225)177-93(37-30-55-166-148(159)160)125(214)176-94(38-31-56-167-149(161)162)129(218)193-117(79(14)22-3)144(233)188-98(58-73(4)5)123(212)168-69-112(203)172-95(47-49-110(152)201)127(216)182-100(60-75(8)9)134(223)184-102(63-85-39-43-88(199)44-40-85)131(220)170-81(16)121(210)174-92(36-29-54-165-147(157)158)124(213)175-91(34-26-27-52-150)126(215)181-99(59-74(6)7)133(222)183-101(61-76(10)11)135(224)186-105(65-87-68-163-72-169-87)137(226)178-96(48-50-113(204)205)130(219)194-116(78(13)21-2)142(231)179-97(51-57-235-19)128(217)187-106(66-111(153)202)138(227)173-90(119(154)208)35-28-53-164-146(155)156/h23-25,32-33,39-46,68,72-83,90-109,115-118,196-200H,20-22,26-31,34-38,47-67,69-71,150-151H2,1-19H3,(H2,152,201)(H2,153,202)(H2,154,208)(H,163,169)(H,168,212)(H,170,220)(H,171,221)(H,172,203)(H,173,227)(H,174,210)(H,175,213)(H,176,214)(H,177,225)(H,178,226)(H,179,231)(H,180,209)(H,181,215)(H,182,216)(H,183,222)(H,184,223)(H,185,229)(H,186,224)(H,187,217)(H,188,233)(H,189,232)(H,190,230)(H,191,234)(H,192,211)(H,193,218)(H,194,219)(H,195,228)(H,204,205)(H,206,207)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t77-,78-,79-,80-,81-,82-,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,115-,116-,117-,118-/m0/s1
PubChem CID44298170
ChEMBLCHEMBL427665
IUPHARN/A
BindingDB50004972
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
194174Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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