The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB02950 http://purl.obolibrary.org/obo/dinto_DB02950
Preferred Name	hymenialdisine
Synonyms	C11H10BrN5O2 5-[(3aR,4S)-2-bromo-8-oxo-3aH,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-yl]-2-amino-4H-imidazol-4-one
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	hymenialdisine
label	hymenialdisine
inhibits	http://purl.obolibrary.org/obo/dinto_0739 http://purl.obolibrary.org/obo/dinto_4101
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=QPCBNXNDVYOBIP-WHFBIAKZSA-N
Synonym	C11H10BrN5O2 5-[(3aR,4S)-2-bromo-8-oxo-3aH,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-yl]-2-amino-4H-imidazol-4-one
xref	PDB:HMD PubChem Compound:17754027 PubChem Substance:46506233
prefixIRI	obo2:dinto_DB02950
related with	http://purl.obolibrary.org/obo/dinto_0869 http://purl.obolibrary.org/obo/dinto_0802
SMILES	[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O
InChI	InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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