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Ligand

NameCHEMBL475333
Molecular formulaC29H33N5O3
IUPAC name(2S)-1-N-[[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-2-N,2-N-dimethylpyrrolidine-1,2-dicarboxamide
Molecular weight499.615
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.4
Synonyms1-(4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ylcarbonyl)-2-methylbenzylcarbamoyl)-L-proline-N,N-dimethylamide
BDBM50246721
Inchi KeyBVLMUIWKBRMVPU-SANMLTNESA-N
Inchi IDInChI=1S/C29H33N5O3/c1-20-16-21(12-13-22(20)17-30-29(37)33-15-7-11-26(33)28(36)31(2)3)27(35)34-19-24-9-6-14-32(24)18-23-8-4-5-10-25(23)34/h4-6,8-10,12-14,16,26H,7,11,15,17-19H2,1-3H3,(H,30,37)/t26-/m0/s1
PubChem CID25178963
ChEMBLCHEMBL475333
IUPHARN/A
BindingDB50246721
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
33843Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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