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Ligand

NameCHEMBL287888
Molecular formulaC33H51N5O5
IUPAC name(2S)-2-[[(2R)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]-3-(2-ethyl-1H-indol-3-yl)propanoyl]amino]hexanoic acid
Molecular weight597.801
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP6.0
Synonyms(S)-2-[(R)-2-{2-[((2R,6S)-2,6-Dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(2-ethyl-1H-indol-3-yl)-propionylamino]-hexanoic acid
BDBM50284773
Inchi KeyDBVBCRQXSARKMK-GHZCALPASA-N
Inchi IDInChI=1S/C33H51N5O5/c1-7-9-16-27(32(41)42)35-31(40)29(19-24-23-15-10-11-17-26(23)34-25(24)8-2)36-30(39)28(18-20(3)4)37-33(43)38-21(5)13-12-14-22(38)6/h10-11,15,17,20-22,27-29,34H,7-9,12-14,16,18-19H2,1-6H3,(H,35,40)(H,36,39)(H,37,43)(H,41,42)/t21-,22+,27-,28?,29+/m0/s1
PubChem CID44283421
ChEMBLCHEMBL287888
IUPHARN/A
BindingDB50284773
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56036Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
56035Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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