herbimycin A

Ligand id: 5984

Name: herbimycin A

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 152.48
Molecular weight 574.29
XLogP 0.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat. Biotechnol., 29 (11): 1039-45. [PMID:22037377]
2. Fukazawa H, Li PM, Yamamoto C, Murakami Y, Mizuno S, Uehara Y. (1991)
Specific inhibition of cytoplasmic protein tyrosine kinases by herbimycin A in vitro.
Biochem. Pharmacol., 42 (9): 1661-71. [PMID:1656993]
3. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem. J., 451 (2): 313-28. [PMID:23398362]
4. Omura S, Iwai Y, Takahashi Y, Sadakane N, Nakagawa A, Oiwa H, Hasegawa Y, Ikai T. (1979)
Herbimycin, a new antibiotic produced by a strain of Streptomyces.
J. Antibiot., 32 (4): 255-61. [PMID:468713]
5. Shaaban KA, Wang X, Elshahawi SI, Ponomareva LV, Sunkara M, Copley GC, Hower JC, Morris AJ, Kharel MK, Thorson JS. (2013)
Herbimycins D-F, ansamycin analogues from Streptomyces sp. RM-7-15.
J. Nat. Prod., 76 (9): 1619-26. [PMID:23947794]
6. Uehara Y, Fukazawa H. (1991)
Use and selectivity of herbimycin A as inhibitor of protein-tyrosine kinases.
Meth. Enzymol., 201: 370-9. [PMID:1658554]