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Ligand

NameSCHEMBL11932315
Molecular formulaC38H55N9O6
IUPAC name(2S)-1-[1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(diaminomethylideneamino)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
Molecular weight733.915
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP-0.5
SynonymsBDBM235801
US9359399, 14
Inchi KeyACSLJSZFBBPSQA-ROQXEPJXSA-N
Inchi IDInChI=1S/C38H55N9O6/c1-24(2)20-29(44-35(50)30(22-26-12-7-4-8-13-26)43-33(48)28(39)21-25-10-5-3-6-11-25)34(49)45-31(23-42-38(40)41)36(51)46-18-15-27(16-19-46)47-17-9-14-32(47)37(52)53/h3-8,10-13,24,27-32H,9,14-23,39H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)(H,52,53)(H4,40,41,42)/t28-,29-,30-,31-,32+/m1/s1
PubChem CID53380717
ChEMBLN/A
IUPHARN/A
BindingDB235801
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557347Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
557348Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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