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Ligand

NameCHEMBL442297
Molecular formulaC82H142FN35O20
IUPAC name(2S)-2-[[(2S)-6-amino-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-phenylpropyl]amino]acetyl]amino]acetyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-N-[(2S)-5-(diaminoamino)-1-hydrazinyl-1,5-dioxopentan-2-yl]butanediamide
Molecular weight1957.26
Hydrogen bond acceptor32
Hydrogen bond donor33
XlogP-13.0
SynonymsN/A
Inchi KeyRONPEYBYZVADRG-OJQBRUKQSA-N
Inchi IDInChI=1S/C82H142FN35O20/c1-44(104-63(123)42-103-79(138)66(46(3)120)116-76(135)58(37-48-24-26-49(83)27-25-48)106-64(124)41-102-62(122)40-98-39-50(87)36-47-16-5-4-6-17-47)67(126)107-54(21-13-33-99-80(89)90)70(129)111-53(20-9-12-32-86)74(133)115-60(43-119)77(136)105-45(2)68(127)108-55(22-14-34-100-81(91)92)71(130)109-51(18-7-10-30-84)69(128)112-56(23-15-35-101-82(93)94)72(131)110-52(19-8-11-31-85)73(132)114-59(38-61(88)121)75(134)113-57(78(137)117-95)28-29-65(125)118(96)97/h4-6,16-17,24-27,44-46,50-60,66,98,119-120H,7-15,18-23,28-43,84-87,95-97H2,1-3H3,(H2,88,121)(H,102,122)(H,103,138)(H,104,123)(H,105,136)(H,106,124)(H,107,126)(H,108,127)(H,109,130)(H,110,131)(H,111,129)(H,112,128)(H,113,134)(H,114,132)(H,115,133)(H,116,135)(H,117,137)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
PubChem CID44388467
ChEMBLCHEMBL442297
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
301313Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367
301314Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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