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Ligand

NameCHEMBL3272882
Molecular formulaC73H94N14O15
IUPAC nameacetic acid;benzyl N-[(2S)-5-(benzylamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
Molecular weight1407.64
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogPNone
SynonymsN/A
Inchi KeyBXESZEVKMNQECD-IHUWZYGDSA-N
Inchi IDInChI=1S/C71H90N14O13.C2H4O2/c1-4-74-68(95)60-27-17-35-85(60)69(96)54(26-16-34-75-70(72)73)78-63(90)55(36-44(2)3)79-64(91)56(37-45-18-8-5-9-19-45)80-65(92)57(38-46-28-30-50(87)31-29-46)81-67(94)59(42-86)83-66(93)58(39-49-41-76-52-25-15-14-24-51(49)52)82-62(89)53(84-71(97)98-43-48-22-12-7-13-23-48)32-33-61(88)77-40-47-20-10-6-11-21-47;1-2(3)4/h5-15,18-25,28-31,41,44,53-60,76,86-87H,4,16-17,26-27,32-40,42-43H2,1-3H3,(H,74,95)(H,77,88)(H,78,90)(H,79,91)(H,80,92)(H,81,94)(H,82,89)(H,83,93)(H,84,97)(H4,72,73,75);1H3,(H,3,4)/t53-,54-,55-,56+,57-,58-,59-,60-;/m0./s1
PubChem CID90677791
ChEMBLCHEMBL3272882
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35016Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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