DrugDomain

Attributes

UniProt ID

Protein Name

deleted

Ligand Name

[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate

DrugBank ID

None

PDB Ligand Accession

AQH

ChEMBL ID

n/a

PubChem ID

n/a

InChIKey

KMSFWBYFWSKGGR-GZNZTODLSA-N

SMILES

c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(CO)O)O)O)O)O)O)N

Drug Action

No data available

Affinity Metrics

No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*

Structure: 4RB4

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Color Legend

Unassigned regionsLigand / hetero atomse4rb4A1e4rb4A2e4rb4A3e4rb4B1e4rb4B2e4rb4B3e4rb4C2e4rb4C3e4rb4C4e4rb4D2e4rb4D3e4rb4D4e4rb4E1e4rb4E2e4rb4E3e4rb4F1e4rb4F2e4rb4F3e4rb4G1e4rb4G2e4rb4G3e4rb4H2e4rb4H3e4rb4H4e4rb4I2e4rb4I3e4rb4I4e4rb4J2e4rb4J3e4rb4J4e4rb4K1e4rb4K2e4rb4K3e4rb4L2e4rb4L3e4rb4L4

ECOD domains from experimental PDB structures interacting with ligand AQH

UniProt	DrugBank	PDB Ligand	PDB ID	ECOD Domain	Range Definition
H5MH13	n/a	AQH	4rb4	e4rb4A1	A:94-207
H5MH13	n/a	AQH	4rb4	e4rb4A3	A:208-391
H5MH13	n/a	AQH	4rb4	e4rb4B1	B:208-391
H5MH13	n/a	AQH	4rb4	e4rb4B3	B:94-207
H5MH13	n/a	AQH	4rb4	e4rb4C3	C:94-207
H5MH13	n/a	AQH	4rb4	e4rb4C4	C:208-398
H5MH13	n/a	AQH	4rb4	e4rb4D3	D:208-391
H5MH13	n/a	AQH	4rb4	e4rb4D4	D:94-207
H5MH13	n/a	AQH	4rb4	e4rb4E1	E:94-207
H5MH13	n/a	AQH	4rb4	e4rb4E3	E:208-399
H5MH13	n/a	AQH	4rb4	e4rb4F1	F:94-207
H5MH13	n/a	AQH	4rb4	e4rb4F3	F:208-395
H5MH13	n/a	AQH	4rb4	e4rb4G1	G:208-399
H5MH13	n/a	AQH	4rb4	e4rb4G3	G:94-207
H5MH13	n/a	AQH	4rb4	e4rb4H3	H:208-394
H5MH13	n/a	AQH	4rb4	e4rb4H4	H:94-207
H5MH13	n/a	AQH	4rb4	e4rb4I3	I:208-398
H5MH13	n/a	AQH	4rb4	e4rb4I4	I:94-207
H5MH13	n/a	AQH	4rb4	e4rb4J3	J:208-393
H5MH13	n/a	AQH	4rb4	e4rb4J4	J:94-207
H5MH13	n/a	AQH	4rb4	e4rb4K1	K:208-398
H5MH13	n/a	AQH	4rb4	e4rb4K3	K:94-207
H5MH13	n/a	AQH	4rb4	e4rb4L3	L:208-395
H5MH13	n/a	AQH	4rb4	e4rb4L4	L:94-207