PCIDB

KNApSAcK Metabolite C00001817

Metabolite

KNApSAcK Entry

id C00001817
Name Berbamine / d-Berbamine / (+)-Berbamine
CAS RN 478-61-5
Standard InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 10

Link

ChEMBL

By standard InChI CHEMBL504323
By standard InChI Main Layer CHEMBL504323 CHEMBL507540 CHEMBL1198334

KEGG

By LinkDB C09357

CTD

By CAS RN C027870

Human Protein / Gene in interaction

4 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P54750 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A PDE_1A CHEMBL504323 CHEMBL1018097 (1)
0 / 0
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL504323 CHEMBL1613800 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL504323 CHEMBL1613910 (1)
3 / 3
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL504323 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1

CTD interaction (11)

compound gene gene name gene description interaction interaction type form reference
pmid
C027870 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 berbamine results in decreased expression of BCL2L1 protein decreases expression
protein 19960011
C027870 637 BID
FP497
BH3 interacting domain death agonist berbamine results in decreased expression of BID protein decreases expression
protein 19960011
C027870 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 berbamine binds to BIRC5 promoter affects binding
promoter 17968851
C027870 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 berbamine results in decreased expression of BIRC5 mRNA decreases expression
mRNA 17531122
C027870 332 BIRC5
API4
EPR-1
baculoviral IAP repeat containing 5 berbamine results in decreased expression of BIRC5 protein decreases expression
protein 19960011
C027870 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) berbamine results in increased activity of CASP3 protein increases activity
protein 17531122
C027870 595 CCND1
BCL1
D11S287E
PRAD1
U21B31
cyclin D1 berbamine results in decreased expression of CCND1 protein decreases expression
protein 19960011
C027870 1147 CHUK
IKBKA
IKK-alpha
IKK1
IKKA
NFKBIKA
TCF16
conserved helix-loop-helix ubiquitous kinase (EC:2.7.11.10) berbamine results in decreased expression of CHUK protein decreases expression
protein 19960011
C027870 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha berbamine results in decreased phosphorylation of NFKBIA protein decreases phosphorylation
protein 19960011
C027870 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A berbamine affects the localization of RELA protein affects localization
protein 19960011
C027870 7128 TNFAIP3
A20
OTUD7C
TNFA1P2
tumor necrosis factor, alpha-induced protein 3 (EC:3.4.19.12) berbamine results in increased expression of TNFAIP3 protein increases expression
protein 19960011

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714

KEGG DISEASE (4)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D015473 C027870 Leukemia, Promyelocytic, Acute therapeutic
17531122