DrugDomain

Attributes

UniProt ID

Protein Name

NAD-dependent protein deacylase

Ligand Name

[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

DrugBank ID

None

PDB Ligand Accession

KMQ

ChEMBL ID

n/a

PubChem ID

n/a

InChIKey

JOKNWQJJLFYBKK-YVAUJSGTSA-N

SMILES

CC=CCOC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O

Drug Action

No data available

Affinity Metrics

No affinity data available

3D Structure

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Mol*

Structure: 6RXQ

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Color Legend

Unassigned regionsLigand / hetero atomse6rxqA1e6rxqA2e6rxqB1e6rxqB2e6rxqC1e6rxqC2e6rxqD1e6rxqD2

ECOD domains from experimental PDB structures interacting with ligand KMQ

UniProt	DrugBank	PDB Ligand	PDB ID	ECOD Domain	Range Definition
P75960	n/a	KMQ	6rxq	e6rxqA1	A:40-148,A:188-274
P75960	n/a	KMQ	6rxq	e6rxqA2	A:149-187
P75960	n/a	KMQ	6rxq	e6rxqB1	B:-1-148,B:188-274
P75960	n/a	KMQ	6rxq	e6rxqB2	B:149-187
P75960	n/a	KMQ	6rxq	e6rxqC1	C:149-187
P75960	n/a	KMQ	6rxq	e6rxqC2	C:40-148,C:188-274
P75960	n/a	KMQ	6rxq	e6rxqD1	D:40-148,D:188-274
P75960	n/a	KMQ	6rxq	e6rxqD2	D:149-187
P75960	n/a	KMQ	6rxr	e6rxrA1	A:149-187
P75960	n/a	KMQ	6rxr	e6rxrA2	A:40-148,A:188-274
P75960	n/a	KMQ	6rxr	e6rxrB1	B:149-187
P75960	n/a	KMQ	6rxr	e6rxrB2	B:-1-148,B:188-274
P75960	n/a	KMQ	6rxr	e6rxrC1	C:40-148,C:188-274
P75960	n/a	KMQ	6rxr	e6rxrC2	C:149-187
P75960	n/a	KMQ	6rxr	e6rxrD1	D:40-148,D:188-274
P75960	n/a	KMQ	6rxr	e6rxrD2	D:149-187