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Ligand

NameCID 44298521
Molecular formulaC157H253N49O41S
IUPAC name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular weight3515.11
Hydrogen bond acceptor49
Hydrogen bond donor50
XlogP-9.2
SynonymsN/A
Inchi KeyHKDXJYGPVQWRKA-YTPRCTGXSA-N
Inchi IDInChI=1S/C157H253N49O41S/c1-21-81(12)122(203-129(223)86(17)181-140(234)114(69-121(218)219)191-128(222)85(16)180-139(233)111(182-88(19)210)66-92-70-170-75-177-92)151(245)200-110(63-89-33-25-24-26-34-89)147(241)206-125(87(18)209)153(247)202-116(74-208)149(243)201-115(73-207)148(242)196-109(65-91-42-46-95(212)47-43-91)144(238)188-99(38-31-56-174-156(166)167)132(226)187-100(39-32-57-175-157(168)169)136(230)204-124(83(14)23-3)152(246)199-104(59-77(4)5)130(224)176-72-119(215)183-101(48-50-117(159)213)134(228)193-106(61-79(8)9)142(236)195-108(64-90-40-44-94(211)45-41-90)138(232)179-84(15)127(221)185-98(37-30-55-173-155(164)165)131(225)186-97(35-27-28-53-158)133(227)192-105(60-78(6)7)141(235)194-107(62-80(10)11)143(237)197-112(67-93-71-171-76-178-93)145(239)189-102(49-51-120(216)217)137(231)205-123(82(13)22-2)150(244)190-103(52-58-248-20)135(229)198-113(68-118(160)214)146(240)184-96(126(161)220)36-29-54-172-154(162)163/h24-26,33-34,40-47,70-71,75-87,96-116,122-125,207-209,211-212H,21-23,27-32,35-39,48-69,72-74,158H2,1-20H3,(H2,159,213)(H2,160,214)(H2,161,220)(H,170,177)(H,171,178)(H,176,224)(H,179,232)(H,180,233)(H,181,234)(H,182,210)(H,183,215)(H,184,240)(H,185,221)(H,186,225)(H,187,226)(H,188,238)(H,189,239)(H,190,244)(H,191,222)(H,192,227)(H,193,228)(H,194,235)(H,195,236)(H,196,242)(H,197,237)(H,198,229)(H,199,246)(H,200,245)(H,201,243)(H,202,247)(H,203,223)(H,204,230)(H,205,231)(H,206,241)(H,216,217)(H,218,219)(H4,162,163,172)(H4,164,165,173)(H4,166,167,174)(H4,168,169,175)/t81-,82-,83-,84-,85-,86-,87+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,122-,123-,124-,125-/m0/s1
PubChem CID44298521
ChEMBLCHEMBL385308
IUPHARN/A
BindingDB50004976
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
117101Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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