PDB Entry (1ioe)

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Visualizer: MichelaNGLo

PDB ID: 1ioe Resolution: 2.9 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Coagulation factor X
Protein Class: HYDROLASE
Uniprot ID/ACC: P00742 (FA10_HUMAN) Organism: Homo sapiens
Gene Symbol: F10 Gene ID: 2159
Pocket Descriptors
Volume: 1318.91 Depth: 33.707
Hydrophobicity: 0.633508 Drug Score: 0.669959
Pocket Similarity: Calculate
Ligand
Ligand Name:   (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE
HET ID:   XMA PubChem:   446331
DrugBank:   - ChEMBL:   CHEMBL1236823
Canonical SMILES:   COC[C@]12CN(CC(=O)N2CC2(O1)CCN(CC2)c1ccncc1)S(=O)(=O)c1ccc2c(c1)ccc(c2)Cl
Standard InChI:   InChI=1S/C27H29ClN4O5S/c1-36-19-27-18-31(38(34,35)24-5-3-20-14-22(28)4-2-21(20)15-24)16-25(33)32(27)17-26(37-27)8-12-30(13-9-26)23-6-10-29-11-7-23/h2-7,10-11,14-15H,8-9,12-13,16-19H2,1H3/t27-/m0/s1
Molecular Formula:   C27H29ClN4O5S Mol. Weight:   557.061 Heavy Atoms:   38
Charge:   0 Is Chiral:   True logP:   4.1548
HBD:   0 HBA:   9 TPSA:   100.66
#Bonds:   43 #Rotatable Bonds:   5 Shape Complexity:   0.4074074
Stereocomplexity:   0.037037037 Ligand Type:   Small Molecule
Binding Affinity
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