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Ligand

NameCHEMBL1631924
Molecular formulaC73H116N24O17
IUPAC name(1S,4S,7S,10S,18S,21S,24S,27S)-7,24-bis(4-aminobutyl)-18-[[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]-4,21-bis[3-(diaminomethylideneamino)propyl]-2,5,8,12,19,22,25,33,36-nonaoxo-3,6,9,13,20,23,32,35-octazabicyclo[25.7.2]hexatriacontane-10-carboxamide
Molecular weight1601.88
Hydrogen bond acceptor22
Hydrogen bond donor23
XlogP-7.1
SynonymsBDBM50333096
Inchi KeyHNJLVIQPRHMPRH-RXVKJWOASA-N
Inchi IDInChI=1S/C73H116N24O17/c1-42(98)61(97-70(113)53(35-44-20-6-3-7-21-44)90-59(103)40-86-58(102)39-87-64(107)46(76)34-43-18-4-2-5-19-43)71(114)88-41-60(104)89-48-25-11-15-31-82-56(100)37-52(62(77)105)95-68(111)49(24-9-13-29-75)92-67(110)51(27-17-33-85-73(80)81)94-69(112)54-38-57(101)83-30-14-10-22-45(63(106)96-54)36-55(99)47(23-8-12-28-74)91-66(109)50(93-65(48)108)26-16-32-84-72(78)79/h2-7,18-21,42,45-54,61,98H,8-17,22-41,74-76H2,1H3,(H2,77,105)(H,82,100)(H,83,101)(H,86,102)(H,87,107)(H,88,114)(H,89,104)(H,90,103)(H,91,109)(H,92,110)(H,93,108)(H,94,112)(H,95,111)(H,96,106)(H,97,113)(H4,78,79,84)(H4,80,81,85)/t42-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,61+/m1/s1
PubChem CID53322001
ChEMBLCHEMBL1631924
IUPHARN/A
BindingDB50333096
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
119428Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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