DrugDomain

Attributes

UniProt ID

Protein Name

CD-NTase-associated protein 12 hydrolase

Ligand Name

9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)

DrugBank ID

None

PDB Ligand Accession

C2E

ChEMBL ID

n/a

PubChem ID

n/a

InChIKey

PKFDLKSEZWEFGL-MHARETSRSA-N

SMILES

c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=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: 7UN8

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Color Legend

Unassigned regionsLigand / hetero atomse7un8A1e7un8A2e7un8B1e7un8B2e7un8C1e7un8C2e7un8D1e7un8D2e7un8E1e7un8E2e7un8F1e7un8F2

ECOD domains from experimental PDB structures interacting with ligand C2E

UniProt	DrugBank	PDB Ligand	PDB ID	ECOD Domain	Range Definition
A0A2T5Y4G4	n/a	C2E	7un8	e7un8A1	A:146-322
A0A2T5Y4G4	n/a	C2E	7un8	e7un8B1	B:146-322
A0A2T5Y4G4	n/a	C2E	7un8	e7un8C1	C:146-322
A0A2T5Y4G4	n/a	C2E	7un8	e7un8D1	D:146-322
A0A2T5Y4G4	n/a	C2E	7un8	e7un8E1	E:146-322
A0A2T5Y4G4	n/a	C2E	7un8	e7un8F1	F:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9A1	A:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9B1	B:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9C1	C:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9D1	D:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9E1	E:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9F1	F:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9I1	I:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9J1	J:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9K1	K:146-322
A0A2T5Y4G4	n/a	C2E	7un9	e7un9L1	L:146-322