DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Autotaxin
Ligand Name
2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HIEJMXWIPDOGLP-RCRUUEGKSA-N
SMILES
CCc1c(n2cc(ccc2n1)N3CCN(CC3)CC(=O)N4CCC(C4)F)N(C)C5NC(=C(S5)C#N)c6ccc(cc6)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 7P0K
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Color Legend
Unassigned regionsLigand / hetero atomse7p0kAAA1e7p0kAAA2e7p0kAAA3e7p0kAAA4e7p0kAAA5
ECOD domains from experimental PDB structures interacting with ligand 4I0
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q64610n/a4I07p0ke7p0kAAA1AAA:56-95
Q64610n/a4I07p0ke7p0kAAA4AAA:140-364,AAA:472-540