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Ligand

NameCHEMBL128652
Molecular formulaC33H46N6O5S
IUPAC nameN'-[(2R)-1-[[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]butanediamide
Molecular weight638.828
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.4
SynonymsBDBM50043115
1N-[1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-ylcarbamoyl]-2-(1H-4-imidazolyl)-(1R)-ethyl]succinamide
Inchi KeyDBFLKUZWJVVUHI-KSRTZFIWSA-N
Inchi IDInChI=1S/C33H46N6O5S/c1-31(2)23-10-12-33(31,20-45(43,44)39-15-13-32(14-16-39)11-9-22-5-3-4-6-25(22)32)27(17-23)38-30(42)26(18-24-19-35-21-36-24)37-29(41)8-7-28(34)40/h3-6,19,21,23,26-27H,7-18,20H2,1-2H3,(H2,34,40)(H,35,36)(H,37,41)(H,38,42)/t23-,26-,27+,33-/m1/s1
PubChem CID44352311
ChEMBLCHEMBL128652
IUPHARN/A
BindingDB50043115
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
55591Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
55592Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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