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Ligand

NameCHEMBL268394
Molecular formulaC83H136N28O21
IUPAC name(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[1-[[(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]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]cyclohexanecarbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]pentanediamide
Molecular weight1862.18
Hydrogen bond acceptor26
Hydrogen bond donor30
XlogP-6.8
SynonymsN/A
Inchi KeyPLVRUSGFIVZDKO-HJVWBCFUSA-N
Inchi IDInChI=1S/C83H136N28O21/c1-45(2)37-57(75(127)100-47(4)69(121)106-59(40-62(88)115)76(128)102-52(67(89)119)29-30-61(87)114)107-72(124)53(25-13-17-33-84)105-74(126)56(28-20-36-95-82(92)93)109-80(132)83(31-15-8-16-32-83)111-78(130)60(44-112)108-73(125)54(26-14-18-34-85)104-71(123)55(27-19-35-94-81(90)91)103-68(120)46(3)99-64(117)43-98-79(131)66(48(5)113)110-77(129)58(39-50-23-11-7-12-24-50)101-65(118)42-96-63(116)41-97-70(122)51(86)38-49-21-9-6-10-22-49/h6-7,9-12,21-24,45-48,51-60,66,112-113H,8,13-20,25-44,84-86H2,1-5H3,(H2,87,114)(H2,88,115)(H2,89,119)(H,96,116)(H,97,122)(H,98,131)(H,99,117)(H,100,127)(H,101,118)(H,102,128)(H,103,120)(H,104,123)(H,105,126)(H,106,121)(H,107,124)(H,108,125)(H,109,132)(H,110,129)(H,111,130)(H4,90,91,94)(H4,92,93,95)/t46-,47-,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
PubChem CID44430601
ChEMBLCHEMBL268394
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
262956Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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