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Ligand

NameCompound SRTX6b
Molecular formulaC64H86N14O15S
IUPAC name(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1323.54
Hydrogen bond acceptor18
Hydrogen bond donor17
XlogP0.5
SynonymsD0HA5S
CHEMBL436894
BDBM50289654
Inchi KeySFSIFZZQDRPMDO-CSJJGNFLSA-N
Inchi IDInChI=1S/C64H86N14O15S/c1-7-35(6)54(63(91)75-49(64(92)93)26-38-29-68-43-16-12-11-15-41(38)43)78-62(90)53(34(4)5)77-60(88)48(28-52(81)82)74-56(84)44(21-22-51(66)80)70-59(87)47(27-39-30-67-32-69-39)73-61(89)50(31-94)76-58(86)46(24-36-13-9-8-10-14-36)72-57(85)45(25-37-17-19-40(79)20-18-37)71-55(83)42(65)23-33(2)3/h8-20,29-30,32-35,42,44-50,53-54,68,79,94H,7,21-28,31,65H2,1-6H3,(H2,66,80)(H,67,69)(H,70,87)(H,71,83)(H,72,85)(H,73,89)(H,74,84)(H,75,91)(H,76,86)(H,77,88)(H,78,90)(H,81,82)(H,92,93)/t35-,42-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
PubChem CID44293162
ChEMBLCHEMBL436894
IUPHARN/A
BindingDB50289654
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
313207Endothelin receptor type BP28088EDNRBBos taurus (Bovine)441

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