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Ligand

NameCHEMBL3144540
Molecular formulaC45H57N7O10
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[3-(4-methoxyphenyl)propanoylamino]hexanoyl]amino]-4-oxobutanoic acid
Molecular weight855.99
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP3.8
SynonymsN/A
Inchi KeyAJVLLGWDFJYUDZ-BQYLNSIHSA-N
Inchi IDInChI=1S/C45H57N7O10/c1-45(2,3)62-44(60)52-36(25-30-27-48-33-15-9-8-14-32(30)33)42(58)49-34(16-10-11-23-47-38(53)22-19-28-17-20-31(61-4)21-18-28)41(57)51-37(26-39(54)55)43(59)50-35(40(46)56)24-29-12-6-5-7-13-29/h5-9,12-15,17-18,20-21,27,34-37,48H,10-11,16,19,22-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35-,36-,37-/m0/s1
PubChem CID14991540
ChEMBLCHEMBL3144540
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7271Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
7272Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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