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Ligand

NameCHEMBL2310916
Molecular formulaC29H32N2O10
IUPAC namemethyl (E)-4-[[(1R,2S,6R,14R,16S)-11-hydroxy-15-methoxy-5-prop-2-enyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]amino]-4-oxobut-2-enoate;oxalic acid
Molecular weight568.579
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogPNone
SynonymsBDBM50225942
Inchi KeyAVNHYMJFVJNVLA-BOAUNOCZSA-N
Inchi IDInChI=1S/C27H30N2O6.C2H2O4/c1-4-12-29-13-11-26-22-16-5-6-17(30)23(22)35-24(26)27(34-3)10-9-25(26,19(29)14-16)15-18(27)28-20(31)7-8-21(32)33-2;3-1(4)2(5)6/h4-10,18-19,24,30H,1,11-15H2,2-3H3,(H,28,31);(H,3,4)(H,5,6)/b8-7+;/t18-,19+,24+,25+,26-,27?;/m0./s1
PubChem CID71717281
ChEMBLCHEMBL2310916
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
15420Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380

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