Ligand |
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Ligand Name: [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB445 | PubChem: 15124200 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: O=S(=O)(F)c1cc(ccc1)C(=O)OC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)n3cnc(c34)c(N)ncn4 | ||
Standard InChI: InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-2-8(4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 | ||
Molecular Formula: C17H16FN5O7S | Mol. Weight: 453.07544 | logP: -0.4571 |
HBD: 3 | HBA: 12 | |
#Rotatable Bonds: 5 | TPSA: 179.75 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Fibroblast growth factor receptor 1 | P11362 (FGFR1_HUMAN) | Homo sapiens (Human) | 5O49 | 9K5 |
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