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Ligand

NameCHEMBL412479
Molecular formulaC58H102N22O15
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight1347.59
Hydrogen bond acceptor20
Hydrogen bond donor22
XlogP-7.2
SynonymsN/A
Inchi KeyBCGXVDFSJSVDHE-XTOORFOSSA-N
Inchi IDInChI=1S/C58H102N22O15/c1-31(2)25-36(61)50(89)70-27-43(83)69-28-45(85)74-41(26-35-15-7-6-8-16-35)54(93)80-46(34(5)82)56(95)71-29-44(84)72-32(3)48(87)76-40(20-14-24-68-58(65)66)52(91)78-38(18-10-12-22-60)53(92)79-42(30-81)55(94)73-33(4)49(88)77-39(19-13-23-67-57(63)64)51(90)75-37(47(62)86)17-9-11-21-59/h6-8,15-16,31-34,36-42,46,81-82H,9-14,17-30,59-61H2,1-5H3,(H2,62,86)(H,69,83)(H,70,89)(H,71,95)(H,72,84)(H,73,94)(H,74,85)(H,75,90)(H,76,87)(H,77,88)(H,78,91)(H,79,92)(H,80,93)(H4,63,64,67)(H4,65,66,68)/t32-,33-,34+,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
PubChem CID10606460
ChEMBLCHEMBL412479
IUPHARN/A
BindingDBN/A
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
20202Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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