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Ligand

NameCHEMBL1631925
Molecular formulaC65H105N23O16
IUPAC name(2S,5S,8S,11S,19S)-5-(4-aminobutyl)-19-[[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]-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]-2-[3-(diaminomethylideneamino)propyl]-8-(hydroxymethyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carboxamide
Molecular weight1464.7
Hydrogen bond acceptor21
Hydrogen bond donor23
XlogP-7.1
SynonymsBDBM50333097
Inchi KeyGCXFOJZVOVEXPQ-WHDMMIDTSA-N
Inchi IDInChI=1S/C65H105N23O16/c1-37(90)53(88-61(102)46(31-39-18-6-3-7-19-39)81-51(93)34-77-50(92)33-78-55(96)40(68)30-38-16-4-2-5-17-38)63(104)79-35-52(94)80-42-22-10-13-27-74-49(91)32-47(60(101)85-44(23-14-28-75-64(70)71)57(98)82-41(54(69)95)20-8-11-25-66)86-62(103)48(36-89)87-59(100)43(21-9-12-26-67)83-58(99)45(84-56(42)97)24-15-29-76-65(72)73/h2-7,16-19,37,40-48,53,89-90H,8-15,20-36,66-68H2,1H3,(H2,69,95)(H,74,91)(H,77,92)(H,78,96)(H,79,104)(H,80,94)(H,81,93)(H,82,98)(H,83,99)(H,84,97)(H,85,101)(H,86,103)(H,87,100)(H,88,102)(H4,70,71,75)(H4,72,73,76)/t37-,40+,41+,42+,43+,44+,45+,46+,47+,48+,53+/m1/s1
PubChem CID49850794
ChEMBLCHEMBL1631925
IUPHARN/A
BindingDB50333097
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
93356Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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