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Ligand

NameCHEMBL3143388
Molecular formulaC34H45N5O7
IUPAC name(3S)-5-(benzylamino)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
Molecular weight635.762
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.8
SynonymsBDBM50020560
CHEMBL151888
4-Benzylcarbamoyl-3-{2-[2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-butyric acid
Inchi KeyCIDLHGBJZWCCQU-WIRXVTQYSA-N
Inchi IDInChI=1S/C34H45N5O7/c1-21(2)15-27(31(43)37-24(18-30(41)42)17-29(40)36-19-22-11-7-6-8-12-22)38-32(44)28(39-33(45)46-34(3,4)5)16-23-20-35-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-28,35H,15-19H2,1-5H3,(H,36,40)(H,37,43)(H,38,44)(H,39,45)(H,41,42)/t24-,27-,28-/m0/s1
PubChem CID14444015
ChEMBLCHEMBL3143388
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
42582Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
42583Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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