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Ligand

NameDynorphin A (1-13)
Molecular formulaC75H126N24O15
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
Molecular weight1603.99
Hydrogen bond acceptor21
Hydrogen bond donor22
XlogP-4.2
Synonyms72957-38-1
Analog of Dynorphin A
UNII-VFC23V742Z
dynorphin (1-13)
CHEMBL405618
[ Show all ]
Inchi KeyOVVIBUHLQIYUEU-IWIISZHXSA-N
Inchi IDInChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PubChem CID25075996
ChEMBLCHEMBL405618
IUPHARN/A
BindingDB214798, 224024
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
251550Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
251555Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
461386Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
251552Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
251553Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
251554Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
556441Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330
251549Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
251551Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
528719Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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