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Ligand

Name2,4 diamino butyric acid
Molecular formulaC151H248N42O41
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-[[(2S)-1-[[(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,5R,8S,11R,18R)-2-[(2S)-butan-2-yl]-5-butyl-11-carbamoyl-8-(hydroxymethyl)-3,6,9,16,19-pentaoxo-1,4,7,10,14-pentazacyclononadec-18-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]-1-oxopropan-2-yl]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)-2-methylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3307.9
Hydrogen bond acceptor47
Hydrogen bond donor47
XlogP-8.2
SynonymsCHEMBL1791195
Inchi KeyCJWIZOWIUMHEGD-UPMQQFMZSA-N
Inchi IDInChI=1S/C151H248N42O41/c1-22-25-37-93-128(214)187-110(72-195)142(228)170-92(120(157)206)54-59-163-70-91(200)66-106(140(226)192-118(80(15)24-3)145(231)177-93)183-130(216)99(51-53-113(155)202)176-134(220)101(61-75(6)7)181-135(221)102(62-76(8)9)179-127(213)94(38-29-31-55-152)173-125(211)96(40-33-57-164-149(158)159)171-121(207)82(17)168-141(227)109(71-194)188-136(222)103(63-77(10)11)180-129(215)98(50-52-112(154)201)172-122(208)81(16)166-132(218)100(60-74(4)5)184-144(230)116(78(12)13)190-131(217)95(39-30-32-56-153)174-126(212)97(41-34-58-165-150(160)161)175-137(223)104(65-87-42-46-89(198)47-43-87)182-143(229)111(73-196)189-138(224)107(67-114(156)203)186-147(233)119(85(20)197)193-139(225)105(64-86-35-27-26-28-36-86)185-146(232)117(79(14)23-2)191-124(210)83(18)167-133(219)108(68-115(204)205)178-123(209)84(19)169-148(234)151(21,162)69-88-44-48-90(199)49-45-88/h26-28,35-36,42-49,74-85,92-111,116-119,163,194-199H,22-25,29-34,37-41,50-73,152-153,162H2,1-21H3,(H2,154,201)(H2,155,202)(H2,156,203)(H2,157,206)(H,166,218)(H,167,219)(H,168,227)(H,169,234)(H,170,228)(H,171,207)(H,172,208)(H,173,211)(H,174,212)(H,175,223)(H,176,220)(H,177,231)(H,178,209)(H,179,213)(H,180,215)(H,181,221)(H,182,229)(H,183,216)(H,184,230)(H,185,232)(H,186,233)(H,187,214)(H,188,222)(H,189,224)(H,190,217)(H,191,210)(H,192,226)(H,193,225)(H,204,205)(H4,158,159,164)(H4,160,161,165)/t79-,80-,81-,82-,83-,84-,85+,92+,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,107-,108-,109-,110-,111-,116-,117-,118-,119-,151-/m0/s1
PubChem CID56671592
ChEMBLCHEMBL1791195
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
43755Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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