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Ligand

NameCHEMBL1631932
Molecular formulaC59H106N22O15
IUPAC name(2S,5S,8S,11S,19S)-19-[[(2S,5S,8S,11S,19S)-19-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-8-(4-aminobutyl)-5-[3-(diaminomethylideneamino)propyl]-2-methyl-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carbonyl]amino]-5-(4-aminobutyl)-2-[3-(diaminomethylideneamino)propyl]-8-(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carboxamide
Molecular weight1363.64
Hydrogen bond acceptor19
Hydrogen bond donor21
XlogP-6.5
SynonymsBDBM50417551
Inchi KeyUVIVJEXHFWYSTP-HDHZZWRFSA-N
Inchi IDInChI=1S/C59H106N22O15/c1-31(2)28-42-55(94)79-41(47(62)86)29-44(84)67-24-13-9-19-38(50(89)76-40(21-15-27-70-59(65)66)52(91)75-36(53(92)80-42)16-6-10-22-60)77-56(95)43-30-45(85)68-25-12-8-18-35(78-57(96)46(33(4)82)72-34(5)83)49(88)71-32(3)48(87)73-39(20-14-26-69-58(63)64)51(90)74-37(54(93)81-43)17-7-11-23-61/h31-33,35-43,46,82H,6-30,60-61H2,1-5H3,(H2,62,86)(H,67,84)(H,68,85)(H,71,88)(H,72,83)(H,73,87)(H,74,90)(H,75,91)(H,76,89)(H,77,95)(H,78,96)(H,79,94)(H,80,92)(H,81,93)(H4,63,64,69)(H4,65,66,70)/t32-,33+,35-,36-,37-,38-,39-,40-,41-,42-,43-,46-/m0/s1
PubChem CID49851101
ChEMBLCHEMBL1631932
IUPHARN/A
BindingDB50417551
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
346578Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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