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Ligand

NameD0M2RI
Molecular formulaC36H58N6O14S
IUPAC name2-[(1R)-1-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]butanedioic acid
Molecular weight830.948
Hydrogen bond acceptor15
Hydrogen bond donor11
XlogP1.4
SynonymsAcAsp-Gla-Leu-Ile-Cha-Cys
Inchi KeySBWANKMZZMQXKQ-JHOOERKCSA-N
Inchi IDInChI=1S/C36H58N6O14S/c1-6-18(4)28(33(51)39-23(13-20-10-8-7-9-11-20)30(48)40-25(16-57)36(55)56)41-31(49)22(12-17(2)3)38-34(52)29(21(35(53)54)14-26(44)45)42-32(50)24(15-27(46)47)37-19(5)43/h17-18,20-25,28-29,57H,6-16H2,1-5H3,(H,37,43)(H,38,52)(H,39,51)(H,40,48)(H,41,49)(H,42,50)(H,44,45)(H,46,47)(H,53,54)(H,55,56)/t18?,21?,22-,23-,24-,25-,28-,29+/m0/s1
PubChem CID44305052
ChEMBLN/A
IUPHARN/A
BindingDB50096400
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
567011Probable G-protein coupled receptor 174Q9BXC1GPR174Homo sapiens (Human)333
567010Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381
567012Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

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