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Ligand

NameCHEMBL3348526
Molecular formulaC156H252N46O37S2
IUPAC name(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4S,7S,10R,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-butyl-4-carbamoyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-16-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-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-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-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-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-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]-3-hydroxy-1-oxopropan-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-(1H-imidazol-4-yl)-2-methylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3428.14
Hydrogen bond acceptor46
Hydrogen bond donor46
XlogP-5.0
SynonymsN/A
Inchi KeyFOZPUAHKQSISPO-LUQULINDSA-N
Inchi IDInChI=1S/C156H252N46O37S2/c1-23-28-44-96-130(217)190-110(67-117(159)208)141(228)196-114(124(160)211)74-240-241-75-115(146(233)201-120(83(15)25-3)147(234)183-96)197-140(227)109(66-93-70-168-76-173-93)189-137(224)104(61-80(10)11)187-136(223)103(60-79(8)9)185-131(218)97(45-35-36-55-157)179-128(215)98(46-37-56-170-153(161)162)182-139(226)107(63-90-40-31-29-32-41-90)192-150(237)122(85(17)27-5)200-142(229)105(62-81(12)13)186-132(219)101(53-54-116(158)207)178-125(212)86(18)175-134(221)102(59-78(6)7)191-149(236)121(84(16)26-4)199-133(220)100(48-39-58-172-155(165)166)180-129(216)99(47-38-57-171-154(163)164)181-138(225)106(65-92-49-51-95(206)52-50-92)188-144(231)112(72-203)194-145(232)113(73-204)195-151(238)123(89(21)205)202-143(230)108(64-91-42-33-30-34-43-91)193-148(235)119(82(14)24-2)198-127(214)87(19)176-135(222)111(68-118(209)210)184-126(213)88(20)177-152(239)156(22,167)69-94-71-169-77-174-94/h29-34,40-43,49-52,70-71,76-89,96-115,119-123,203-206H,23-28,35-39,44-48,53-69,72-75,157,167H2,1-22H3,(H2,158,207)(H2,159,208)(H2,160,211)(H,168,173)(H,169,174)(H,175,221)(H,176,222)(H,177,239)(H,178,212)(H,179,215)(H,180,216)(H,181,225)(H,182,226)(H,183,234)(H,184,213)(H,185,218)(H,186,219)(H,187,223)(H,188,231)(H,189,224)(H,190,217)(H,191,236)(H,192,237)(H,193,235)(H,194,232)(H,195,238)(H,196,228)(H,197,227)(H,198,214)(H,199,220)(H,200,229)(H,201,233)(H,202,230)(H,209,210)(H4,161,162,170)(H4,163,164,171)(H4,165,166,172)/t82-,83-,84-,85-,86-,87-,88-,89+,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115-,119-,120-,121-,122-,123-,156-/m0/s1
PubChem CID118718098
ChEMBLCHEMBL3348526
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
445026Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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