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Ligand

NameAc-RYYRWK-NH2
Molecular formulaC49H69N15O9
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanamide
Molecular weight1012.19
Hydrogen bond acceptor12
Hydrogen bond donor15
XlogP-1.3
SynonymsSCHEMBL13097862
200959-47-3
AKOS024456566
Ac-Arg-Tyr-Tyr-Arg-Trp-Lys-NH2
acetyl-Arg-Tyr-Tyr-Arg-Trp-Lys-NH(2)
[ Show all ]
Inchi KeyYROQVQIJRORFAZ-SKGSPYGFSA-N
Inchi IDInChI=1S/C49H69N15O9/c1-28(65)59-37(11-6-22-56-48(52)53)43(69)62-40(25-30-15-19-33(67)20-16-30)46(72)63-39(24-29-13-17-32(66)18-14-29)45(71)61-38(12-7-23-57-49(54)55)44(70)64-41(26-31-27-58-35-9-3-2-8-34(31)35)47(73)60-36(42(51)68)10-4-5-21-50/h2-3,8-9,13-20,27,36-41,58,66-67H,4-7,10-12,21-26,50H2,1H3,(H2,51,68)(H,59,65)(H,60,73)(H,61,71)(H,62,69)(H,63,72)(H,64,70)(H4,52,53,56)(H4,54,55,57)/t36-,37-,38-,39-,40-,41-/m0/s1
PubChem CID9811889
ChEMBLCHEMBL2403218
IUPHARN/A
BindingDB85191
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
417538Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367
557214Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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