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Ligand

NameCHEMBL2372364
Molecular formulaC81H135ClN28O21
IUPAC name(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(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-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-2-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]pentanediamide;hydrochloride
Molecular weight1872.6
Hydrogen bond acceptor26
Hydrogen bond donor31
XlogPNone
SynonymsN/A
Inchi KeyRXKJZSUWKRMCHT-IVVHDTBISA-N
Inchi IDInChI=1S/C81H134N28O21.ClH/c1-8-81(7,109-63(116)41-96-77(129)64(46(6)111)108-75(127)56(37-48-23-13-10-14-24-48)99-62(115)40-94-61(114)39-95-68(120)49(84)36-47-21-11-9-12-22-47)78(130)107-54(28-20-34-93-80(90)91)72(124)103-52(26-16-18-32-83)71(123)106-58(42-110)76(128)98-44(4)66(118)101-53(27-19-33-92-79(88)89)69(121)102-51(25-15-17-31-82)70(122)105-55(35-43(2)3)73(125)97-45(5)67(119)104-57(38-60(86)113)74(126)100-50(65(87)117)29-30-59(85)112;/h9-14,21-24,43-46,49-58,64,110-111H,8,15-20,25-42,82-84H2,1-7H3,(H2,85,112)(H2,86,113)(H2,87,117)(H,94,114)(H,95,120)(H,96,129)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,118)(H,102,121)(H,103,124)(H,104,119)(H,105,122)(H,106,123)(H,107,130)(H,108,127)(H,109,116)(H4,88,89,92)(H4,90,91,93);1H/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,81-;/m0./s1
PubChem CID73350263
ChEMBLCHEMBL2372364
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
307475Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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