Showing entry for Calcimycin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0025757
Compound NameCalcimycin
Structure
FormulaC29H37N3O6
InchiKeyHIYAVKIYRIFSCZ-CYEMHPAKSA-N
SMILESCNc1ccc2c(c1C(=O)O)nc(o2)C[C@H]1O[C@@]2(CC[C@H]1C)O[C@@H]([C@@H](C[C@H]2C)C)[C@@H](C(=O)c1ccc[nH]1)C
InchiInChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
IUPAC5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
Molecular Weight523.27
Pubchem Id11957499
Chembl IdCHEMBL1256686
Targets of Information Source
DrugBank n.a
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
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 44170
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
reviewed BXGT020459 Solute carrier family 12 member 5 reviewed Transporter SLC12A5 - - - 11300
reviewed BXGT020459 Solute carrier family 12 member 5 reviewed Transporter SLC12A5 - - - 14900
reviewed BXGT020459 Solute carrier family 12 member 5 reviewed Transporter SLC12A5 - - - 9960
reviewed BXGT020459 Solute carrier family 12 member 5 reviewed Transporter SLC12A5 - - - 15400
reviewed BXGT009829 Apelin receptor reviewed G-protein coupled receptor APLNR - >40000 - -
reviewed BXGT009858 DNA damage-inducible transcript 3 protein reviewed Ddit3 - 420 - -
reviewed BXGT008348 X-box-binding protein 1 reviewed XBP1 - 1510 - -
CHEMBL CHEMBL1256686
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
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 58047 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 8912 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 12589 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 44668 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 3162 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 11220 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 398 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 28183 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 79432 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 35481 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 10000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 19952 nM
Q8IL88 BXGT018311 HSP40, subfamily A, putative unreviewed - PF3D7_1437900 AbsAC1000_uM '=' 0 uM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 1122 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 1258 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency - 19011 nM
P17861 BXGT008348 X-box-binding protein 1 reviewed - XBP1 IC50 '=' 1410 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 10000 nM
P30556 BXGT009441 Type-1 angiotensin II receptor reviewed G-protein coupled receptor AGTR1 IC50 '>' 40000 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 19952 nM
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 3981 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 464 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 12589 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 3981 nM
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 1468 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 31622 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 37685 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 6309 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 14125 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency - 23934 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 25118 nM
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 2612 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 26679 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 891 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 35481 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29081 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 46945 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 4109 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 8912 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 19952 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 2059 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency - 3013 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 15 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 6513 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 2993 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 39810 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 39810 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 7943 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
Q12791 BXGT013264 Calcium-activated potassium channel subunit alpha-1 reviewed Ion channel KCNMA1 Activity '=' 416 %
P07900 BXGT006696 Heat shock protein HSP 90-alpha reviewed Chaperone HSP90AA1 AC50 '=' 1074 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 2818 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 501 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 35481 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 1000 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 15848 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 3548 nM
Q8IL32 BXGT018308 Heat shock protein 90, putative unreviewed - PF3D7_1443900 AC50 '=' 813 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4610 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 354 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 7943 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 21192 nM
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 2328 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 12990 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 1158 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 3162 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 35481 nM
P42345 BXGT010304 Serine/threonine-protein kinase mTOR reviewed Kinase MTOR Potency '=' 14689 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -15 %
Q8VNN2 BXGT018937 Beta-galactosidase reviewed - lacZ EC50 '>' 40000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency '=' 1584 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 14125 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 6012 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 39810 nM
P35639 BXGT009858 DNA damage-inducible transcript 3 protein reviewed - Ddit3 IC50 '=' 160 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '<' 60 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 50118 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 1458 nM
H9CNL0 BXGT003633 Ryanodien receptor unreviewed - Activity '=' 357 %
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 2238 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 18887 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 8912 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency - 7568 nM
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 8492 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 2930 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 7079 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 100000 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 5802 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 25118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 183 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 15848 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 3162 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 12589 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 290928 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 5011 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 6513 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 1258 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 6 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 22387 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 1032 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 23 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Potency - 1458 nM
H9CNL0 BXGT003633 Ryanodien receptor unreviewed - Activity '=' 157 %
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -3 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF06107 Glehnia littoralis Glehnia littoralis Medicinal Plant
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