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Ligand

NameCHEMBL1791236
Molecular formulaC149H247N43O41S
IUPAC name(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-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-oxobutan-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 weight3328.94
Hydrogen bond acceptor48
Hydrogen bond donor48
XlogP-11.2
SynonymsN/A
Inchi KeyAWWDPSJVGFHEON-LPYSECNISA-N
Inchi IDInChI=1S/C149H247N43O41S/c1-21-78(14)116(190-122(209)82(18)167-133(220)105(67-113(202)203)178-121(208)80(16)166-123(210)89(152)64-85-41-45-87(197)46-42-85)145(232)185-104(65-84-34-25-24-26-35-84)138(225)192-118(83(19)196)146(233)170-90(23-3)125(212)186-109(72-195)142(229)182-103(66-86-43-47-88(198)48-44-86)137(224)175-95(40-33-58-164-149(160)161)127(214)174-93(37-28-30-55-151)132(219)189-115(77(12)13)143(230)184-99(60-73(4)5)124(211)165-69-112(201)169-96(49-51-110(153)199)129(216)180-102(63-76(10)11)136(223)188-107(70-193)140(227)168-81(17)120(207)172-94(39-32-57-163-148(158)159)126(213)173-92(36-27-29-54-150)128(215)179-101(62-75(8)9)135(222)181-100(61-74(6)7)134(221)176-97(50-52-111(154)200)130(217)183-106(68-114(204)205)139(226)191-117(79(15)22-2)144(231)177-98(53-59-234-20)131(218)187-108(71-194)141(228)171-91(119(155)206)38-31-56-162-147(156)157/h24-26,34-35,41-48,73-83,89-109,115-118,193-198H,21-23,27-33,36-40,49-72,150-152H2,1-20H3,(H2,153,199)(H2,154,200)(H2,155,206)(H,165,211)(H,166,210)(H,167,220)(H,168,227)(H,169,201)(H,170,233)(H,171,228)(H,172,207)(H,173,213)(H,174,214)(H,175,224)(H,176,221)(H,177,231)(H,178,208)(H,179,215)(H,180,216)(H,181,222)(H,182,229)(H,183,217)(H,184,230)(H,185,232)(H,186,212)(H,187,218)(H,188,223)(H,189,219)(H,190,209)(H,191,226)(H,192,225)(H,202,203)(H,204,205)(H4,156,157,162)(H4,158,159,163)(H4,160,161,164)/t78-,79-,80-,81-,82-,83+,89-,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 CID56681648
ChEMBLCHEMBL1791236
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
16412Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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