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Ligand

NameCHEMBL1791234
Molecular formulaC148H245N43O41S
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-[[(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-oxobutan-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-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3314.91
Hydrogen bond acceptor48
Hydrogen bond donor48
XlogP-11.6
SynonymsN/A
Inchi KeyCTAJHJZJQFXRFD-FKJZWLBYSA-N
Inchi IDInChI=1S/C148H245N43O41S/c1-21-77(14)115(189-121(208)81(18)166-131(218)104(66-112(201)202)176-120(207)79(16)165-122(209)88(151)62-84-41-45-86(196)46-42-84)144(231)183-102(63-83-34-25-24-26-35-83)137(224)191-117(82(19)195)145(232)184-103(65-110(153)199)136(223)187-108(71-194)141(228)180-101(64-85-43-47-87(197)48-44-85)135(222)174-94(40-33-56-163-148(159)160)126(213)173-92(37-28-30-53-150)130(217)188-114(76(12)13)142(229)182-97(58-72(4)5)123(210)164-68-111(200)168-95(49-50-109(152)198)128(215)178-100(61-75(10)11)134(221)186-106(69-192)139(226)167-80(17)119(206)171-93(39-32-55-162-147(157)158)125(212)172-91(36-27-29-52-149)127(214)177-99(60-74(8)9)133(220)179-98(59-73(6)7)132(219)169-89(23-3)124(211)181-105(67-113(203)204)138(225)190-116(78(15)22-2)143(230)175-96(51-57-233-20)129(216)185-107(70-193)140(227)170-90(118(154)205)38-31-54-161-146(155)156/h24-26,34-35,41-48,72-82,88-108,114-117,192-197H,21-23,27-33,36-40,49-71,149-151H2,1-20H3,(H2,152,198)(H2,153,199)(H2,154,205)(H,164,210)(H,165,209)(H,166,218)(H,167,226)(H,168,200)(H,169,219)(H,170,227)(H,171,206)(H,172,212)(H,173,213)(H,174,222)(H,175,230)(H,176,207)(H,177,214)(H,178,215)(H,179,220)(H,180,228)(H,181,211)(H,182,229)(H,183,231)(H,184,232)(H,185,216)(H,186,221)(H,187,223)(H,188,217)(H,189,208)(H,190,225)(H,191,224)(H,201,202)(H,203,204)(H4,155,156,161)(H4,157,158,162)(H4,159,160,163)/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-,114-,115-,116-,117-/m0/s1
PubChem CID56678305
ChEMBLCHEMBL1791234
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
49934Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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