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Ligand

NameCHEMBL1791192
Molecular formulaC148H244N44O41S
IUPAC name(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-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]-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]-1-oxopropan-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 weight3327.91
Hydrogen bond acceptor48
Hydrogen bond donor48
XlogP-12.6
SynonymsN/A
Inchi KeyBYDOULCGLWOLRR-QCXOTUQUSA-N
Inchi IDInChI=1S/C148H244N44O41S/c1-20-77(13)116(191-122(210)82(18)168-133(221)104(66-113(202)203)179-120(208)79(15)166-123(211)88(151)62-84-39-43-86(196)44-40-84)145(233)186-101(63-83-32-23-22-24-33-83)132(220)167-81(17)121(209)178-103(65-111(154)200)138(226)189-108(71-195)142(230)183-102(64-85-41-45-87(197)46-42-85)137(225)175-93(38-31-56-164-148(160)161)126(214)174-91(35-26-28-53-150)131(219)190-115(76(11)12)143(231)185-97(58-72(3)4)124(212)165-68-112(201)170-94(47-49-109(152)198)128(216)181-100(61-75(9)10)136(224)188-106(69-193)140(228)169-80(16)119(207)172-92(37-30-55-163-147(158)159)125(213)173-90(34-25-27-52-149)127(215)180-99(60-74(7)8)135(223)182-98(59-73(5)6)134(222)176-95(48-50-110(153)199)129(217)184-105(67-114(204)205)139(227)192-117(78(14)21-2)144(232)177-96(51-57-234-19)130(218)187-107(70-194)141(229)171-89(118(155)206)36-29-54-162-146(156)157/h22-24,32-33,39-46,72-82,88-108,115-117,193-197H,20-21,25-31,34-38,47-71,149-151H2,1-19H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,206)(H,165,212)(H,166,211)(H,167,220)(H,168,221)(H,169,228)(H,170,201)(H,171,229)(H,172,207)(H,173,213)(H,174,214)(H,175,225)(H,176,222)(H,177,232)(H,178,209)(H,179,208)(H,180,215)(H,181,216)(H,182,223)(H,183,230)(H,184,217)(H,185,231)(H,186,233)(H,187,218)(H,188,224)(H,189,226)(H,190,219)(H,191,210)(H,192,227)(H,202,203)(H,204,205)(H4,156,157,162)(H4,158,159,163)(H4,160,161,164)/t77-,78-,79-,80-,81-,82-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-/m0/s1
PubChem CID56664718
ChEMBLCHEMBL1791192
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
35697Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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