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Ligand

NameCHEMBL318475
Molecular formulaC37H40N4O7
IUPAC name2-[[(3R)-2-[(2R,5S)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carbonyl]-5-phenylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetic acid
Molecular weight652.748
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
Synonyms(R)-2-{(2R,5S)-2-[(R)-3-(Carboxymethyl-carbamoyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-phenyl-pyrrolidine-1-carbonyl}-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
BDBM50288463
SCHEMBL9542782
Inchi KeyCVNADDFZCBWJEZ-UJOGNLFBSA-N
Inchi IDInChI=1S/C37H40N4O7/c1-37(2,3)48-36(47)41-27-16-10-9-14-25(27)20-31(41)35(46)40-28(23-11-5-4-6-12-23)17-18-29(40)34(45)39-22-26-15-8-7-13-24(26)19-30(39)33(44)38-21-32(42)43/h4-16,28-31H,17-22H2,1-3H3,(H,38,44)(H,42,43)/t28-,29+,30+,31+/m0/s1
PubChem CID44331826
ChEMBLCHEMBL318475
IUPHARN/A
BindingDB50288463
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51610Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
51609Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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