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Ligand

NameCHEMBL3143400
Molecular formulaC36H48N6O8
IUPAC name(3S)-4-[[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight692.814
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP3.2
SynonymsCHEMBL151729
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-N-(1-carbamoylmethyl-2-phenyl-ethyl)-succinamic acid
BDBM50020570
Inchi KeyDDCWLSAGVYYMFZ-JSRHHAARSA-N
Inchi IDInChI=1S/C36H48N6O8/c1-21(2)15-27(33(47)41-29(19-31(44)45)32(46)39-24(18-30(37)43)16-22-11-7-6-8-12-22)40-34(48)28(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,43)(H,39,46)(H,40,48)(H,41,47)(H,42,49)(H,44,45)/t24-,27-,28-,29-/m0/s1
PubChem CID14444025
ChEMBLCHEMBL3143400
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
56973Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
56974Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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