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Ligand

NameCompound Venorphin
Molecular formulaC77H117N25O13
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1600.94
Hydrogen bond acceptor18
Hydrogen bond donor25
XlogP-0.3
SynonymsBDBM50126658
Inchi KeyBRVWVZJLUPHDEY-ZKVIZJJYSA-N
Inchi IDInChI=1S/C77H117N25O13/c1-43(2)37-59(69(110)97-57(24-14-34-88-76(83)84)67(108)95-56(23-13-33-87-75(81)82)66(107)92-44(3)65(106)98-58(25-15-35-89-77(85)86)74(115)102-36-16-26-63(102)73(114)94-54(64(80)105)21-9-11-31-78)99-71(112)62(40-48-42-91-53-20-8-6-18-51(48)53)101-72(113)61(39-47-41-90-52-19-7-5-17-50(47)52)100-68(109)55(22-10-12-32-79)96-70(111)60(93-45(4)103)38-46-27-29-49(104)30-28-46/h5-8,17-20,27-30,41-44,54-63,90-91,104H,9-16,21-26,31-40,78-79H2,1-4H3,(H2,80,105)(H,92,107)(H,93,103)(H,94,114)(H,95,108)(H,96,111)(H,97,110)(H,98,106)(H,99,112)(H,100,109)(H,101,113)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t44-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
PubChem CID91932224
ChEMBLCHEMBL438571
IUPHARN/A
BindingDB50126658
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31401Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
31399Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
31400Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
31402Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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