Attributes
UniProt ID
Protein Name
C-X-C chemokine receptor type 4
Ligand Name
(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OOSUDWRRWZVFEB-UHFFFAOYSA-N
SMILES
CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3ODU
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Color Legend
Unassigned regionsLigand / hetero atomse3oduA1e3oduA2e3oduB3e3oduB4
ECOD domains from experimental PDB structures interacting with ligand ITD
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P61073 | n/a | ITD | 3odu | e3oduA1 | A:27-900,A:234-328 |
| P61073 | n/a | ITD | 3odu | e3oduB3 | B:28-900,B:234-319 |
| P61073 | n/a | ITD | 3oe6 | e3oe6A3 | A:35-224,A:1155-312 |
| P61073 | n/a | ITD | 3oe6 | e3oe6A4 | A:225-1154 |
| P61073 | n/a | ITD | 3oe8 | e3oe8A3 | A:27-224,A:1155-305 |
| P61073 | n/a | ITD | 3oe8 | e3oe8A4 | A:225-1154 |
| P61073 | n/a | ITD | 3oe8 | e3oe8B1 | B:27-224,B:1155-304 |
| P61073 | n/a | ITD | 3oe8 | e3oe8B3 | B:225-1154 |
| P61073 | n/a | ITD | 3oe8 | e3oe8C3 | C:27-224,C:1155-305 |
| P61073 | n/a | ITD | 3oe8 | e3oe8C4 | C:225-1154 |
| P61073 | n/a | ITD | 3oe9 | e3oe9A1 | A:28-228,A:236-303 |
| P61073 | n/a | ITD | 3oe9 | e3oe9B3 | B:35-228,B:236-303 |