PCIDB

KNApSAcK Metabolite C00002152

Metabolite

KNApSAcK Entry

id C00002152
Name Dubamine
CAS RN 6808-65-7
Standard InChI InChI=1S/C16H11NO2/c1-2-4-13-11(3-1)5-7-14(17-13)12-6-8-15-16(9-12)19-10-18-15/h1-9H,10H2
Standard InChI (Main Layer) InChI=1S/C16H11NO2/c1-2-4-13-11(3-1)5-7-14(17-13)12-6-8-15-16(9-12)19-10-18-15/h1-9H,10H2

Cluster

Phytochemical cluster No. 7
KCF-S cluster No. 2882

Link

ChEMBL

By standard InChI CHEMBL502774
By standard InChI Main Layer CHEMBL502774

KEGG

By LinkDB C10661

CTD

By CAS RN

Human Protein / Gene in interaction

20 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL502774 CHEMBL1738132 (1)
7 / 44
Q16637 Survival motor neuron protein Unclassified protein CHEMBL502774 CHEMBL1613842 (1)
4 / 2
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL502774 CHEMBL1738312 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL502774 CHEMBL1614544 (1)
11 / 10
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL502774 CHEMBL1614458 (1)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL502774 CHEMBL1613838 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL502774 CHEMBL2114807 (1)
4 / 2
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL502774 CHEMBL2114810 (1)
7 / 3
Q9Y468 Lethal(3)malignant brain tumor-like protein 1 Unclassified protein CHEMBL502774 CHEMBL1614280 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL502774 CHEMBL1794401 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL502774 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL502774 CHEMBL1738588 (1) CHEMBL1738317 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL502774 CHEMBL1737991 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL502774 CHEMBL1614421 (1)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL502774 CHEMBL1738184 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL502774 CHEMBL1613914 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL502774 CHEMBL1738442 (1)
0 / 0
Q00653 Nuclear factor NF-kappa-B p100 subunit Transcription Factor CHEMBL502774 CHEMBL1613870 (1)
0 / 0
Q04206 Transcription factor p65 Transcription Factor CHEMBL502774 CHEMBL1613870 (1)
0 / 0
P19838 Nuclear factor NF-kappa-B p105 subunit Transcription Factor CHEMBL502774 CHEMBL1613870 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (38)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#211980 Lung cancer P04637
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#174800 Mccune-albright syndrome; mas P63092
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#257220 Niemann-pick disease, type c1; npc1 O15118
#166350 Osseous heteroplasia, progressive; poh P63092
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#275210 Restrictive dermopathy, lethal P02545
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (55)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
P38398 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
P38398 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)