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Ligand

NameCHEMBL262963
Molecular formulaC64H106N22O12
IUPAC name(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1375.69
Hydrogen bond acceptor17
Hydrogen bond donor19
XlogP-2.4
SynonymsBDBM50036266
Dyn A(H-Tyr-Gly-Ala-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys)-NH2
Dyn A(H-Tyr-Gly-D-Ala-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys)-NH2
Inchi KeyAQXYHKIZMZEAGF-VJDVOYKLSA-N
Inchi IDInChI=1S/C64H106N22O12/c1-6-37(4)51(60(97)82-46(21-14-30-76-64(72)73)61(98)86-31-15-22-49(86)59(96)79-43(52(67)89)18-10-11-27-65)85-56(93)45(20-13-29-75-63(70)71)80-55(92)44(19-12-28-74-62(68)69)81-57(94)47(32-36(2)3)84-58(95)48(34-39-16-8-7-9-17-39)83-53(90)38(5)78-50(88)35-77-54(91)42(66)33-40-23-25-41(87)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,87H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H2,67,89)(H,77,91)(H,78,88)(H,79,96)(H,80,92)(H,81,94)(H,82,97)(H,83,90)(H,84,95)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
PubChem CID10374265
ChEMBLCHEMBL262963
IUPHARN/A
BindingDB50036266
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12198Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
12199Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
12195Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
12196Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
12194Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
12197Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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