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Ligand

NameCHEMBL77033
Molecular formulaC30H44BrN5O5
IUPAC name2-[[(2R)-2-[[2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoic acid
Molecular weight634.616
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP5.7
SynonymsBDBM50051419
2-[(R)-2-{2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(2-bromo-1H-indol-3-yl)-propionylamino]-hexanoic acid
Inchi KeyCZISURJVGQTBNK-DDJHWDJXSA-N
Inchi IDInChI=1S/C30H44BrN5O5/c1-4-5-13-23(29(39)40)33-28(38)25(18-21-20-12-8-9-14-22(20)32-26(21)31)34-27(37)24(17-19(2)3)35-30(41)36-15-10-6-7-11-16-36/h8-9,12,14,19,23-25,32H,4-7,10-11,13,15-18H2,1-3H3,(H,33,38)(H,34,37)(H,35,41)(H,39,40)/t23?,24?,25-/m1/s1
PubChem CID44314646
ChEMBLCHEMBL77033
IUPHARN/A
BindingDB50051419
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
54344Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
54343Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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