POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	Interface	HETATM	RMSD	Seq. Identity (%)	View	Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	2b1p	MITOGEN-ACTIVATED PROTEIN KINASE 10 (Homo sapiens)	5 / 12	TRP A 272 ASP A 343 ARG A 347 GLU A 233 LEU A 236	None SO4  A 503 (-4.7A) None None None	1.46A	20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4n4w	CYTOCHROME B(562),SMOOTHENED HOMOLOG (Homo sapiens; Shigella flexneri)	11 / 12	ASN A 219 TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 GLN A 477 PHE A 484 GLU A 518 ASN A 521 LEU A 522	None None SNT  A 605 ( 4.7A) SNT  A 605 (-4.6A) None None None None SNT  A 605 (-4.0A) SNT  A 605 (-3.6A) SNT  A 605 ( 4.4A)	0.65A	61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4n4w	CYTOCHROME B(562),SMOOTHENED HOMOLOG (Homo sapiens; Shigella flexneri)	8 / 12	ASN A 219 TRP A 281 ASP A 384 SER A 387 TYR A 394 GLN A 477 LEU A 522 MET A 525	None None SNT  A 605 ( 4.7A) SNT  A 605 (-4.6A) None None SNT  A 605 ( 4.4A) SNT  A 605 (-4.6A)	0.73A	61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4o9r	SMOOTHENED HOMOLOG/SOLUBLE CYTOCHROME B562 CHIMERIC PROTEIN (Escherichia coli; Homo sapiens)	6 / 12	ASN A 219 TRP A 281 ASP A 384 SER A 387 LEU A 522 MET A 525	CY8  A1201 (-3.3A) None CY8  A1201 (-3.2A) None None None	1.04A	74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4o9r	SMOOTHENED HOMOLOG/SOLUBLE CYTOCHROME B562 CHIMERIC PROTEIN (Escherichia coli; Homo sapiens)	10 / 12	ASN A 219 TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 GLN A 477 GLU A 518 ASN A 521 LEU A 522	CY8  A1201 (-3.3A) None CY8  A1201 (-3.2A) None CY8  A1201 (-4.3A) CY8  A1201 (-3.9A) CY8  A1201 (-3.7A) CY8  A1201 (-3.3A) None None	0.85A	74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4o9r	SMOOTHENED HOMOLOG/SOLUBLE CYTOCHROME B562 CHIMERIC PROTEIN (Escherichia coli; Homo sapiens)	5 / 12	TYR A 394 ARG A 400 GLN A 477 PHE A 484 LEU A 522	CY8  A1201 (-4.3A) CY8  A1201 (-3.9A) CY8  A1201 (-3.7A) CY8  A1201 (-3.9A) None	0.89A	74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5l7d	SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG (Escherichia coli; Homo sapiens)	10 / 12	ASN A 219 TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 GLN A 477 GLU A 518 ASN A 521 LEU A 522	None	0.68A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5l7d	SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG (Escherichia coli; Homo sapiens)	8 / 12	ASN A 219 TRP A 281 ASP A 384 SER A 387 TYR A 394 GLN A 477 LEU A 522 MET A 525	None	0.86A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5l7d	SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG (Escherichia coli; Homo sapiens)	5 / 12	GLN A 477 PHE A 484 GLU A 518 ASN A 521 LEU A 522	None	0.78A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5v57	SMOOTHENED HOMOLOG,FLAVODOXIN,S MOOTHENED HOMOLOG (Desulfovibrio vulgaris; Homo sapiens)	11 / 12	ASN A 219 TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 GLN A 477 PHE A 484 GLU A 518 ASN A 521 LEU A 522	836  A1201 (-3.1A) None 836  A1201 (-3.1A) 836  A1201 (-4.5A) 836  A1201 (-4.6A) 836  A1201 (-3.0A) 836  A1201 (-3.6A) 836  A1201 (-3.9A) 836  A1201 (-3.5A) 836  A1201 (-3.4A) 836  A1201 (-4.6A)	0.56A	79.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_A_VISA1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5v57	SMOOTHENED HOMOLOG,FLAVODOXIN,S MOOTHENED HOMOLOG (Desulfovibrio vulgaris; Homo sapiens)	5 / 12	TRP A 281 ASP A 384 SER A 387 LEU A 522 MET A 525	None 836  A1201 (-3.1A) 836  A1201 (-4.5A) 836  A1201 (-4.6A) None	1.10A	79.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	2b1p	MITOGEN-ACTIVATED PROTEIN KINASE 10 (Homo sapiens)	5 / 12	TRP A 272 ASP A 343 ARG A 347 GLU A 233 LEU A 236	None SO4  A 503 (-4.7A) None None None	1.45A	20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4n4w	CYTOCHROME B(562),SMOOTHENED HOMOLOG (Homo sapiens; Shigella flexneri)	11 / 12	TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 ASP A 473 GLN A 477 PRO A 513 GLU A 518 ASN A 521 LEU A 522	None SNT  A 605 ( 4.7A) SNT  A 605 (-4.6A) None None None None None SNT  A 605 (-4.0A) SNT  A 605 (-3.6A) SNT  A 605 ( 4.4A)	0.60A	61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4n4w	CYTOCHROME B(562),SMOOTHENED HOMOLOG (Homo sapiens; Shigella flexneri)	8 / 12	TRP A 281 ASP A 384 SER A 387 TYR A 394 ASP A 473 PRO A 513 LEU A 522 MET A 525	None SNT  A 605 ( 4.7A) SNT  A 605 (-4.6A) None None None SNT  A 605 ( 4.4A) SNT  A 605 (-4.6A)	0.68A	61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4o9r	SMOOTHENED HOMOLOG/SOLUBLE CYTOCHROME B562 CHIMERIC PROTEIN (Escherichia coli; Homo sapiens)	5 / 12	TRP A 281 ASP A 384 SER A 387 LEU A 522 MET A 525	None CY8  A1201 (-3.2A) None None None	1.13A	74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	4o9r	SMOOTHENED HOMOLOG/SOLUBLE CYTOCHROME B562 CHIMERIC PROTEIN (Escherichia coli; Homo sapiens)	11 / 12	TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 ASP A 473 GLN A 477 PRO A 513 GLU A 518 ASN A 521 LEU A 522	None CY8  A1201 (-3.2A) None CY8  A1201 (-4.3A) CY8  A1201 (-3.9A) CY8  A1201 (-4.2A) CY8  A1201 (-3.7A) CY8  A1201 ( 4.9A) CY8  A1201 (-3.3A) None None	0.79A	74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5l7d	SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG (Escherichia coli; Homo sapiens)	11 / 12	TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 ASP A 473 GLN A 477 PRO A 513 GLU A 518 ASN A 521 LEU A 522	None	0.53A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5l7d	SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG (Escherichia coli; Homo sapiens)	8 / 12	TRP A 281 ASP A 384 SER A 387 TYR A 394 ASP A 473 PRO A 513 LEU A 522 MET A 525	None	0.68A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5v57	SMOOTHENED HOMOLOG,FLAVODOXIN,S MOOTHENED HOMOLOG (Desulfovibrio vulgaris; Homo sapiens)	5 / 12	TRP A 281 ASP A 384 SER A 387 LEU A 522 MET A 525	None 836  A1201 (-3.1A) 836  A1201 (-4.5A) 836  A1201 (-4.6A) None	1.10A	79.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5L7I_B_VISB1202_1 (SMOOTHENED HOMOLOG,SOLUBLE CYTOCHROME B562,SMOOTHENED HOMOLOG)	5v57	SMOOTHENED HOMOLOG,FLAVODOXIN,S MOOTHENED HOMOLOG (Desulfovibrio vulgaris; Homo sapiens)	11 / 12	TRP A 281 ASP A 384 SER A 387 TYR A 394 ARG A 400 ASP A 473 GLN A 477 PRO A 513 GLU A 518 ASN A 521 LEU A 522	None 836  A1201 (-3.1A) 836  A1201 (-4.5A) 836  A1201 (-4.6A) 836  A1201 (-3.0A) 836  A1201 ( 4.9A) 836  A1201 (-3.6A) 836  A1201 (-4.1A) 836  A1201 (-3.5A) 836  A1201 (-3.4A) 836  A1201 (-4.6A)	0.54A	79.05