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Ligand

NameCHEMBL218600
Molecular formulaC58H73N11O13
IUPAC name(3R)-4-[[(2R)-1-[[(2S)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Molecular weight1132.29
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP2.2
SynonymsH-Tyr-D-Ala-Gly-Phe-NH-NH-Trp-D-Nle-D-Asp-D-Phe-Boc
BDBM50202107
Inchi KeyFEOAQCGOOODCEB-YAMJKISESA-N
Inchi IDInChI=1S/C58H73N11O13/c1-6-7-21-43(64-54(78)47(32-49(72)73)66-53(77)44(28-35-16-10-8-11-17-35)67-57(81)82-58(3,4)5)52(76)65-46(31-39-30-38-20-14-15-22-42(38)62-39)56(80)69-68-55(79)45(29-36-18-12-9-13-19-36)63-48(71)33-60-50(74)34(2)61-51(75)41(59)27-37-23-25-40(70)26-24-37/h8-20,22-26,30,34,41,43-47,62,70H,6-7,21,27-29,31-33,59H2,1-5H3,(H,60,74)(H,61,75)(H,63,71)(H,64,78)(H,65,76)(H,66,77)(H,67,81)(H,68,79)(H,69,80)(H,72,73)/t34-,41+,43-,44-,45+,46+,47-/m1/s1
PubChem CID16100406
ChEMBLCHEMBL218600
IUPHARN/A
BindingDB50202107
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
76460Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
76461Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
76462Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
76459Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
76458Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
76463Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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