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Ligand

NameCHEMBL437650
Molecular formulaC141H231N39O39
IUPAC name(3R)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-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)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-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]-1,4-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 weight3096.63
Hydrogen bond acceptor44
Hydrogen bond donor44
XlogP-9.8
SynonymsN/A
Inchi KeyGCGYVZQFHYAMAA-VPRDSYBDSA-N
Inchi IDInChI=1S/C141H231N39O39/c1-21-74(15)111(178-117(197)78(19)157-126(206)100(63-108(190)191)166-116(196)76(17)156-118(198)85(144)59-81-38-42-83(184)43-39-81)138(218)173-98(60-80-32-24-23-25-33-80)132(212)180-113(79(20)183)139(219)174-99(62-106(147)188)131(211)176-103(67-182)135(215)170-97(61-82-40-44-84(185)45-41-82)130(210)163-89(37-31-53-154-141(151)152)121(201)162-87(35-27-29-51-143)125(205)177-110(73(13)14)136(216)172-93(55-69(5)6)119(199)155-65-107(189)159-90(46-48-104(145)186)123(203)168-96(58-72(11)12)129(209)175-102(66-181)134(214)158-77(18)115(195)160-88(36-30-52-153-140(149)150)120(200)161-86(34-26-28-50-142)122(202)167-95(57-71(9)10)128(208)169-94(56-70(7)8)127(207)164-91(47-49-105(146)187)124(204)171-101(64-109(192)193)133(213)179-112(75(16)22-2)137(217)165-92(114(148)194)54-68(3)4/h23-25,32-33,38-45,68-79,85-103,110-113,181-185H,21-22,26-31,34-37,46-67,142-144H2,1-20H3,(H2,145,186)(H2,146,187)(H2,147,188)(H2,148,194)(H,155,199)(H,156,198)(H,157,206)(H,158,214)(H,159,189)(H,160,195)(H,161,200)(H,162,201)(H,163,210)(H,164,207)(H,165,217)(H,166,196)(H,167,202)(H,168,203)(H,169,208)(H,170,215)(H,171,204)(H,172,216)(H,173,218)(H,174,219)(H,175,209)(H,176,211)(H,177,205)(H,178,197)(H,179,213)(H,180,212)(H,190,191)(H,192,193)(H4,149,150,153)(H4,151,152,154)/t74-,75-,76-,77-,78-,79+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101-,102-,103-,110-,111-,112-,113-/m0/s1
PubChem CID44310759
ChEMBLCHEMBL437650
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
92931Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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