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Ligand

NameCID 53363631
Molecular formulaC134H201N37O37
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular weight2922.3
Hydrogen bond acceptor42
Hydrogen bond donor43
XlogP-12.0
SynonymsN/A
Inchi KeyGMOYPWQVVRLIHP-CENRIGGDSA-N
Inchi IDInChI=1S/C134H201N37O37/c1-72(2)54-89(167-131(207)101-40-27-53-171(101)108(183)68-151-117(193)98(69-172)170-132(208)111(139)76(8)175)114(190)149-67-107(182)155-97(62-103(138)178)128(204)163-90(55-73(3)4)123(199)152-75(7)112(188)156-87(45-47-109(184)185)121(197)161-88(46-48-110(186)187)122(198)162-91(56-74(5)6)124(200)166-96(61-102(137)177)116(192)150-66-106(181)154-94(60-80-41-43-82(176)44-42-80)126(202)168-99(70-173)129(205)160-85(38-25-51-144-133(140)141)119(195)158-84(37-22-24-50-136)118(194)157-83(36-21-23-49-135)113(189)148-64-104(179)146-65-105(180)153-93(58-78-30-15-10-16-31-78)125(201)169-100(71-174)130(206)165-95(59-79-32-17-11-18-33-79)127(203)159-86(39-26-52-145-134(142)143)120(196)164-92(57-77-28-13-9-14-29-77)115(191)147-63-81-34-19-12-20-35-81/h9-20,28-35,41-44,72-76,83-101,111,172-176H,21-27,36-40,45-71,135-136,139H2,1-8H3,(H2,137,177)(H2,138,178)(H,146,179)(H,147,191)(H,148,189)(H,149,190)(H,150,192)(H,151,193)(H,152,199)(H,153,180)(H,154,181)(H,155,182)(H,156,188)(H,157,194)(H,158,195)(H,159,203)(H,160,205)(H,161,197)(H,162,198)(H,163,204)(H,164,196)(H,165,206)(H,166,200)(H,167,207)(H,168,202)(H,169,201)(H,170,208)(H,184,185)(H,186,187)(H4,140,141,144)(H4,142,143,145)/t75-,76+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-/m0/s1
PubChem CID53363631
ChEMBLCHEMBL1802480
IUPHARN/A
BindingDB50347848
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
100092Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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