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Ligand

NameD-Phe-Cys-Tyr-D-Trp-Arg-Thr-Pen-Thr-NH2
Molecular formulaC51H71N13O11S2
IUPAC name(2R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methyl-3-sulfanylbutanamide
Molecular weight1106.33
Hydrogen bond acceptor15
Hydrogen bond donor17
XlogP-0.6
SynonymsBDBM85334
D-Phe-Cys-Tyr-D-Trp-Arg-Thr-Pen-Thr-NH(2)
H-D-Phe-Cys-Tyr-D-Trp-Arg-Thr-Pen-Thr-NH(2)
H-D-Phe-Cys-Tyr-D-Trp-Arg-Thr-Pen-Thr-NH2
Inchi KeyGLWPFSWTTGSQRY-FGHAYEPSSA-N
Inchi IDInChI=1S/C51H71N13O11S2/c1-26(65)39(42(53)68)62-49(75)41(51(3,4)77)64-48(74)40(27(2)66)63-44(70)35(15-10-20-56-50(54)55)58-46(72)37(23-30-24-57-34-14-9-8-13-32(30)34)60-45(71)36(22-29-16-18-31(67)19-17-29)59-47(73)38(25-76)61-43(69)33(52)21-28-11-6-5-7-12-28/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67,76-77H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/m1/s1
PubChem CID11804285
ChEMBLN/A
IUPHARN/A
BindingDB85334
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
99637Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
460110Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
99634Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
99636Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
99635Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
555843Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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