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Ligand

NameCHEMBL374325
Molecular formulaC59H73N9O15
IUPAC name(3S)-3-[[(2S)-2-[2-[(2S)-1-[[2-[[(2R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(1R)-1-carboxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]ethyl]amino]-1-oxohexan-2-yl]-methylamino]-4-oxobutanoic acid
Molecular weight1148.28
Hydrogen bond acceptor17
Hydrogen bond donor11
XlogP1.2
SynonymsBDBM50183559
D0QP2S
Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMeNle-D-Trp-Boc
Inchi KeyCHVZZDMXXHMJNM-BPYPMLAUSA-N
Inchi IDInChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
PubChem CID44408526
ChEMBLCHEMBL374325
IUPHARN/A
BindingDB50183559
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
42334Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
42336Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
42337Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
42338Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
42335Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
443362Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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