VIR

VIRGINIAMYCIN M1

Created:	2001-12-04
Last modified:	2011-06-04

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6 entries where VIR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	73
Chiral Atom Count	3
Bond Count	75
Aromatic Bond Count	5

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Chemical Component Summary
Name	VIRGINIAMYCIN M1
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₈ H₃₅ N₃ O₇
Molecular Weight	525.593
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2N1C(=CCC1)C(=O)OC(C(C=CC(=O)NCC=CC(=CC(O)CC(=O)Cc3nc2co3)C)C)C(C)C
SMILES	CACTVS	3.341	CC(C)[CH]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3
SMILES	OpenEye OEToolkits	1.5.0	CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C
Canonical SMILES	CACTVS	3.341	CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)\C=C(C)\C=C\CNC(=O)\C=C\[C@H]1C)n3
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C
InChI	InChI	1.03	InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1
InChIKey	InChI	1.03	DAIKHDNSXMZDCU-FQTGFAPKSA-N

Drug Info: DrugBank

DrugBank ID	DB01669
Name	Virginiamycin M1
Groups	experimental
Description	Pristinamycin IIA is a macrolide antibiotic, a member of the streptogramin A group of antibiotics, and one component of pristinamycin. It is produced by Streptomyces graminofaciens and other bacteria.
Synonyms	Ostreogrycin A Virginiamycin M1 Pristinamycin IIA Mikamycin A Streptogramin A Virginiamycin factor M1
Indication	For the treatment of bacterial infections.
Categories	Amino Acids, Peptides, and Proteins Anti-Bacterial Agents Anti-Infective Agents Peptides Peptides, Cyclic Streptogramin Group A Streptogramins
CAS number	21411-53-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Streptogramin A acetyltransferase	MGPNPMKMYPIEGNKSVQFIKPILEKLENVEVGEYSYYDSKNGETFDKQI...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682