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Ligand

NameCHEMBL257921
Molecular formulaC49H72N14O8
IUPAC nameN-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]benzamide
Molecular weight985.205
Hydrogen bond acceptor11
Hydrogen bond donor13
XlogP0.4
SynonymsBz--RYYRIK-NH2
D06RSR
BDBM50372280
Inchi KeyOBDOGETZOBOLDY-GCFINZEGSA-N
Inchi IDInChI=1S/C49H72N14O8/c1-3-30(2)40(47(71)58-35(41(51)65)18-10-11-25-50)63-44(68)37(20-13-27-57-49(54)55)60-45(69)39(29-32-21-23-34(64)24-22-32)62-46(70)38(28-31-14-6-4-7-15-31)61-43(67)36(19-12-26-56-48(52)53)59-42(66)33-16-8-5-9-17-33/h4-9,14-17,21-24,30,35-40,64H,3,10-13,18-20,25-29,50H2,1-2H3,(H2,51,65)(H,58,71)(H,59,66)(H,60,69)(H,61,67)(H,62,70)(H,63,68)(H4,52,53,56)(H4,54,55,57)/t30-,35-,36-,37-,38-,39-,40-/m0/s1
PubChem CID44456187
ChEMBLCHEMBL257921
IUPHARN/A
BindingDB50372280
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
236895Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367
236896Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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