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Ligand

NameCHEMBL236294
Molecular formulaC45H70N10O7
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
Molecular weight863.118
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP4.6
SynonymsN/A
Inchi KeyGVRNPFKCJNAYLL-HBNHFNANSA-N
Inchi IDInChI=1S/C45H70N10O7/c1-9-28(7)37(39(46)57)54-42(60)35(24-27(5)6)53-41(59)33(17-14-22-49-45(47)48)51-36(56)25-50-44(62)38(29(8)10-2)55-43(61)34(23-26(3)4)52-40(58)32-20-18-31(19-21-32)30-15-12-11-13-16-30/h11-13,15-16,18-21,26-29,33-35,37-38H,9-10,14,17,22-25H2,1-8H3,(H2,46,57)(H,50,62)(H,51,56)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H4,47,48,49)/t28-,29-,33-,34-,35-,37-,38-/m0/s1
PubChem CID44433908
ChEMBLCHEMBL236294
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538608Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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