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Ligand

NameCHEMBL1791232
Molecular formulaC147H243N43O39S
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-[[(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)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-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]-1-oxopropan-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]-1-oxopropan-2-yl]amino]-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-(4-hydroxyphenyl)-2-methylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3268.88
Hydrogen bond acceptor46
Hydrogen bond donor46
XlogP-10.4
SynonymsN/A
Inchi KeyMCOIBNRFRBMIFQ-NXPWUZCYSA-N
Inchi IDInChI=1S/C147H243N43O39S/c1-24-75(11)112(188-123(209)83(19)167-132(218)104(67-109(197)198)181-122(208)84(20)170-143(229)147(22,159)69-88-45-49-90(194)50-46-88)141(227)185-103(65-86-36-27-26-28-37-86)136(222)190-114(85(21)192)142(228)169-77(13)116(202)163-78(14)120(206)180-102(66-87-43-47-89(193)48-44-87)135(221)176-95(42-35-60-162-146(157)158)127(213)175-93(39-30-32-57-149)130(216)187-111(74(9)10)139(225)184-99(62-71(3)4)131(217)166-80(16)119(205)173-96(51-53-107(150)195)128(214)182-101(64-73(7)8)134(220)186-106(70-191)138(224)168-81(17)118(204)172-94(41-34-59-161-145(155)156)126(212)174-92(38-29-31-56-148)124(210)164-82(18)121(207)179-100(63-72(5)6)133(219)177-97(52-54-108(151)196)129(215)183-105(68-110(199)200)137(223)189-113(76(12)25-2)140(226)178-98(55-61-230-23)125(211)165-79(15)117(203)171-91(115(152)201)40-33-58-160-144(153)154/h26-28,36-37,43-50,71-85,91-106,111-114,191-194H,24-25,29-35,38-42,51-70,148-149,159H2,1-23H3,(H2,150,195)(H2,151,196)(H2,152,201)(H,163,202)(H,164,210)(H,165,211)(H,166,217)(H,167,218)(H,168,224)(H,169,228)(H,170,229)(H,171,203)(H,172,204)(H,173,205)(H,174,212)(H,175,213)(H,176,221)(H,177,219)(H,178,226)(H,179,207)(H,180,206)(H,181,208)(H,182,214)(H,183,215)(H,184,225)(H,185,227)(H,186,220)(H,187,216)(H,188,209)(H,189,223)(H,190,222)(H,197,198)(H,199,200)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-,147-/m0/s1
PubChem CID56681647
ChEMBLCHEMBL1791232
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
202216Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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