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Ligand

NameCHEMBL262894
Molecular formulaC47H60N9NaO13S
IUPAC namesodium;[4-[(2S)-2-amino-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]phenyl] sulfate
Molecular weight1014.1
Hydrogen bond acceptor14
Hydrogen bond donor10
XlogPNone
SynonymsN/A
Inchi KeyCJFQPYCJUAHRBQ-BSRABYNYSA-M
Inchi IDInChI=1S/C47H61N9O13S.Na/c1-3-5-15-35(53-43(61)33(48)22-29-18-20-31(21-19-29)69-70(66,67)68)44(62)51-27-40(57)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(64)54-36(16-6-4-2)45(63)56-39(25-41(58)59)47(65)55-37(42(49)60)23-28-12-8-7-9-13-28;/h7-14,17-21,26,33,35-39,50H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,60)(H,51,62)(H,52,57)(H,53,61)(H,54,64)(H,55,65)(H,56,63)(H,58,59)(H,66,67,68);/q;+1/p-1/t33-,35-,36-,37-,38-,39-;/m0./s1
PubChem CID44381358
ChEMBLCHEMBL262894
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43310Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
43309Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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