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Ligand

NameBDBM85823
Molecular formulaC55H79IN16O12
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight1283.24
Hydrogen bond acceptor15
Hydrogen bond donor16
XlogP-1.7
SynonymsOFQ/N (1-11), Iodo[Tyr10]
Inchi KeyTTXICVUPTYINEQ-PFWRPPLYSA-N
Inchi IDInChI=1S/C55H79IN16O12/c1-31(47(59)77)67-52(82)42(27-36-19-21-37(56)22-20-36)71-51(81)39(17-10-11-23-57)70-50(80)40(18-12-24-62-55(60)61)69-48(78)32(2)66-44(75)30-65-54(84)46(33(3)73)72-53(83)41(26-35-15-8-5-9-16-35)68-45(76)29-63-43(74)28-64-49(79)38(58)25-34-13-6-4-7-14-34/h4-9,13-16,19-22,31-33,38-42,46,73H,10-12,17-18,23-30,57-58H2,1-3H3,(H2,59,77)(H,63,74)(H,64,79)(H,65,84)(H,66,75)(H,67,82)(H,68,76)(H,69,78)(H,70,80)(H,71,81)(H,72,83)(H4,60,61,62)/t31-,32-,33+,38-,39-,40-,41-,42-,46-/m0/s1
PubChem CID91898997
ChEMBLN/A
IUPHARN/A
BindingDB85823
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
556807Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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