Showing entry for Pelanin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009332
Compound NamePelanin
Structure
FormulaC23H32O3
InchiKeyRSEPBGGWRJCQGY-RBRWEJTLSA-N
SMILES[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCCC
InchiInChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
IUPAC(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,?.011,1?]heptadeca-2,4,6-trien-14-yl pentanoate
Molecular Weight356.5
Pubchem Id13791
Chembl IdCHEMBL1511
Targets of Information Source
DrugBank DB13956
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 approved; investigational; vet_approved agonist
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 approved; investigational; vet_approved -
Q92731 BXGT019366 Estrogen receptor beta reviewed Nuclear receptor ESR2 approved; investigational; vet_approved agonist
P43681 BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 approved; investigational; vet_approved -
Q15596 BXGT013582 Nuclear receptor coactivator 2 reviewed Enzyme NCOA2 approved; investigational; vet_approved -
Q99527 BXGT019930 G-protein coupled estrogen receptor 1 reviewed G-protein coupled receptor GPER1 approved; investigational; vet_approved -
P00846 BXGT005674 ATP synthase subunit a reviewed Transporter MT-ATP6 approved; investigational; vet_approved -
Q14457 BXGT013472 Beclin-1 reviewed Enzyme modulator BECN1 approved; investigational; vet_approved -
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 approved; investigational; vet_approved -
P62508 BXGT011431 Estrogen-related receptor gamma reviewed Nuclear receptor ESRRG approved; investigational; vet_approved ligand
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1511
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 28183 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 79432 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 31622 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 89125 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 63095 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 28183 nM
O00167 BXGT003887 Eyes absent homolog 2 reviewed - EYA2 Potency - 281838 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 3834 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 129 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 1584 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29092 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 20596 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 11220 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 28183 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 79 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 35481 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 5623 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 35481 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 291 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00175 Potato Solanum tuberosum Vegetables
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease