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Ligand

NameCHEMBL236457
Molecular formulaC35H67N11O8
IUPAC name(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide
Molecular weight769.99
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-0.3
SynonymsN/A
Inchi KeyADPDVISIPFBHFE-FNARAVPISA-N
Inchi IDInChI=1S/C35H67N11O8/c1-9-21(8)28(46-33(53)26(15-20(6)7)44-30(50)22(36)17-47)34(54)41-16-27(48)42-23(11-10-12-40-35(38)39)31(51)45-25(14-19(4)5)32(52)43-24(29(37)49)13-18(2)3/h18-26,28,47H,9-17,36H2,1-8H3,(H2,37,49)(H,41,54)(H,42,48)(H,43,52)(H,44,50)(H,45,51)(H,46,53)(H4,38,39,40)/t21-,22-,23-,24-,25-,26-,28-/m0/s1
PubChem CID44433968
ChEMBLCHEMBL236457
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
535984Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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