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Ligand

NameCHEMBL450628
Molecular formulaC27H31N5O4
IUPAC name(2S)-2-[(5S)-1-[2-(dimethylamino)ethyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
Molecular weight489.576
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP0.4
SynonymsBDBM50146645
(S)-[(S)-1-(2-Dimethylamino-ethyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid
Inchi KeyARRVINKHLMOECL-SQHAQQRYSA-N
Inchi IDInChI=1S/C27H31N5O4/c1-18-16-19(2)30-26(29-18)36-24(25(34)35)27(20-10-6-5-7-11-20)21-12-8-9-13-22(21)32(15-14-31(3)4)23(33)17-28-27/h5-13,16,24,28H,14-15,17H2,1-4H3,(H,34,35)/t24-,27+/m1/s1
PubChem CID11752174
ChEMBLCHEMBL450628
IUPHARN/A
BindingDB50146645
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12715Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
12714Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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