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Ligand

NameCHEMBL3278371
Molecular formulaC48H75N15O14
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
Molecular weight1086.22
Hydrogen bond acceptor15
Hydrogen bond donor15
XlogP-4.1
SynonymsN/A
Inchi KeyAHZVQABXAUDKAM-DZCXQCEKSA-N
Inchi IDInChI=1S/C48H75N15O14/c1-24(2)17-30(42(72)58-29(7-5-15-53-48(51)52)47(77)63-16-6-8-35(63)46(76)54-21-37(50)67)57-39(69)22-55-40(70)32(19-26-9-11-27(65)12-10-26)60-45(75)34(23-64)62-44(74)33(20-36(49)66)61-43(73)31(18-25(3)4)59-41(71)28-13-14-38(68)56-28/h9-12,24-25,28-35,64-65H,5-8,13-23H2,1-4H3,(H2,49,66)(H2,50,67)(H,54,76)(H,55,70)(H,56,68)(H,57,69)(H,58,72)(H,59,71)(H,60,75)(H,61,73)(H,62,74)(H4,51,52,53)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID90680246
ChEMBLCHEMBL3278371
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
6024Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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