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Ligand

NameCHEMBL410460
Molecular formulaC125H204N36O34
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)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-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-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight2755.23
Hydrogen bond acceptor39
Hydrogen bond donor40
XlogP-8.5
SynonymsN/A
Inchi KeyIPHRHVKHQSEZEY-CLFXVJCBSA-N
Inchi IDInChI=1S/C125H204N36O34/c1-17-66(12)99(160-104(176)69(15)141-112(184)90(57-97(171)172)149-103(175)67(13)140-105(177)76(128)53-72-33-37-74(165)38-34-72)122(194)155-88(54-71-27-19-18-20-28-71)118(190)161-100(70(16)164)123(195)156-89(56-95(131)169)117(189)158-92(60-163)120(192)153-87(55-73-35-39-75(166)40-36-73)116(188)148-81(32-26-48-138-125(135)136)108(180)147-79(30-22-24-46-127)111(183)159-98(65(10)11)121(193)154-83(49-61(2)3)106(178)139-58-96(170)143-82(42-44-94(130)168)110(182)151-86(52-64(8)9)115(187)157-91(59-162)119(191)142-68(14)102(174)145-80(31-25-47-137-124(133)134)107(179)146-78(29-21-23-45-126)109(181)150-85(51-63(6)7)114(186)152-84(50-62(4)5)113(185)144-77(101(132)173)41-43-93(129)167/h18-20,27-28,33-40,61-70,76-92,98-100,162-166H,17,21-26,29-32,41-60,126-128H2,1-16H3,(H2,129,167)(H2,130,168)(H2,131,169)(H2,132,173)(H,139,178)(H,140,177)(H,141,184)(H,142,191)(H,143,170)(H,144,185)(H,145,174)(H,146,179)(H,147,180)(H,148,188)(H,149,175)(H,150,181)(H,151,182)(H,152,186)(H,153,192)(H,154,193)(H,155,194)(H,156,195)(H,157,187)(H,158,189)(H,159,183)(H,160,176)(H,161,190)(H,171,172)(H4,133,134,137)(H4,135,136,138)/t66-,67+,68-,69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-,99-,100-/m0/s1
PubChem CID44311293
ChEMBLCHEMBL410460
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
138590Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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