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Ligand

NameCHEMBL2387214
Molecular formulaC75H100N16O12
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]carbamoylamino]hexanoic acid
Molecular weight1417.72
Hydrogen bond acceptor15
Hydrogen bond donor15
XlogP2.9
SynonymsN/A
Inchi KeyBDZOQFBBMRXVPH-PRJVLWKRSA-N
Inchi IDInChI=1S/C75H100N16O12/c1-48(2)42-62(88-71(99)63(44-51-20-9-5-10-21-51)85-65(93)47-83-67(95)49(3)84-68(96)58(76)43-52-28-30-56(92)31-29-52)70(98)86-60(27-17-37-79-74(77)78)69(97)89-64(45-53-46-82-59-25-14-13-24-57(53)59)72(100)87-61(73(101)102)26-15-16-36-80-75(103)81-38-32-66(94)91(54-22-11-6-12-23-54)55-34-40-90(41-35-55)39-33-50-18-7-4-8-19-50/h4-14,18-25,28-31,46,48-49,55,58,60-64,82,92H,15-17,26-27,32-45,47,76H2,1-3H3,(H,83,95)(H,84,96)(H,85,93)(H,86,98)(H,87,100)(H,88,99)(H,89,97)(H,101,102)(H4,77,78,79)(H2,80,81,103)/t49-,58-,60-,61-,62+,63-,64-/m0/s1
PubChem CID73351999
ChEMBLCHEMBL2387214
IUPHARN/A
BindingDBN/A
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
21371Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
21374Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
21372Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
21373Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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