DrugDomain

Attributes

UniProt ID

Protein Name

deleted

Ligand Name

(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside

DrugBank ID

None

PDB Ligand Accession

IVM

ChEMBL ID

n/a

PubChem ID

n/a

InChIKey

AZSNMRSAGSSBNP-XPNPUAGNSA-N

SMILES

CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C

Drug Action

No data available

Affinity Metrics

No affinity data available

3D Structure

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Mol*

Structure: 3RHW

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Color Legend

Unassigned regionsLigand / hetero atomse3rhwA1e3rhwA2e3rhwB1e3rhwB2e3rhwC1e3rhwC2e3rhwD1e3rhwD2e3rhwE1e3rhwE2e3rhwF3e3rhwF4e3rhwG3e3rhwG4e3rhwH3e3rhwH4e3rhwI3e3rhwI4e3rhwJ3e3rhwJ4e3rhwK1e3rhwK2e3rhwL1e3rhwL2e3rhwM1e3rhwM2e3rhwN1e3rhwN2e3rhwO5e3rhwO6

ECOD domains from experimental PDB structures interacting with ligand IVM

UniProt	DrugBank	PDB Ligand	PDB ID	ECOD Domain	Range Definition
O17793	n/a	IVM	3rhw	e3rhwA2	A:213-340
O17793	n/a	IVM	3rhw	e3rhwB2	B:213-340
O17793	n/a	IVM	3rhw	e3rhwC2	C:213-339
O17793	n/a	IVM	3rhw	e3rhwD2	D:213-340
O17793	n/a	IVM	3rhw	e3rhwE2	E:213-340
O17793	n/a	IVM	3ri5	e3ri5A2	A:213-340
O17793	n/a	IVM	3ri5	e3ri5B2	B:213-340
O17793	n/a	IVM	3ri5	e3ri5C1	C:1-214
O17793	n/a	IVM	3ri5	e3ri5C2	C:213-339
O17793	n/a	IVM	3ri5	e3ri5D2	D:213-340
O17793	n/a	IVM	3ri5	e3ri5E2	E:213-340
O17793	n/a	IVM	3ria	e3riaA2	A:213-340
O17793	n/a	IVM	3ria	e3riaB2	B:213-340
O17793	n/a	IVM	3ria	e3riaC2	C:213-339
O17793	n/a	IVM	3ria	e3riaD2	D:213-340
O17793	n/a	IVM	3ria	e3riaE2	E:213-340
O17793	n/a	IVM	3rif	e3rifA2	A:213-340
O17793	n/a	IVM	3rif	e3rifB2	B:213-340
O17793	n/a	IVM	3rif	e3rifC2	C:213-339
O17793	n/a	IVM	3rif	e3rifD2	D:213-340
O17793	n/a	IVM	3rif	e3rifE2	E:213-340