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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	2pg6	CYTOCHROME P450 2A6 (Homo sapiens)	5 / 12	PHE A 440 ILE A 208 THR A 294 PHE A 480 ALA A 481	HEM  A 500 (-3.9A) None None None None	1.23A	30.04
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.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	3mwe	ATP-CITRATE SYNTHASE (Homo sapiens)	5 / 12	ARG A 378 ILE A 414 PHE A 354 ALA A 284 ALA A 345	None None None None TLA  A 427 (-3.6A)	1.36A	21.32
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.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	4b18	IMPORTIN SUBUNIT ALPHA-1 (Homo sapiens)	5 / 12	ARG A 397 ARG A 395 ALA A 443 THR A 405 ALA A 400	None	1.25A	20.75
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.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	4joc	LYSOPHOSPHATIDIC ACID PHOSPHATASE TYPE 6 (Homo sapiens)	5 / 12	ASP A 293 ARG A 218 SER A 223 ILE A 228 PHE A 250	None	1.05A	21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	4ny4	CYTOCHROME P450 3A4 (Homo sapiens)	11 / 12	PHE A  57 ASP A  76 ARG A 105 ARG A 106 SER A 119 ILE A 120 PHE A 215 THR A 224 ALA A 305 THR A 309 ALA A 370	None None HEM  A 601 ( 2.8A) None 2QH  A 602 (-3.9A) None 2QH  A 602 (-3.9A) None 2QH  A 602 ( 3.6A) 2QH  A 602 ( 3.7A) 2QH  A 602 ( 3.1A)	0.48A	99.59
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.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	4rg1	C9ORF114 (Homo sapiens)	5 / 12	ILE A 100 PHE A 311 ALA A 356 THR A 342 ALA A 362	None SAH  A 401 (-4.9A) SAH  A 401 (-3.4A) SAH  A 401 (-3.5A) None	1.06A	21.79
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.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	5te1	ATP-CITRATE SYNTHASE (Homo sapiens)	5 / 12	ARG A 378 ILE A 414 PHE A 354 ALA A 284 ALA A 345	None None None None 7A2  A 901 (-3.6A)	1.31A	21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	5veu	CYTOCHROME P450 3A5 (Homo sapiens)	5 / 12	ARG A 105 ARG A 106 ALA A 305 THR A 309 ALA A 370	HEM  A 601 (-2.8A) RIT  A 602 ( 4.0A) HEM  A 601 (-3.4A) HEM  A 601 ( 3.5A) RIT  A 602 (-3.3A)	0.92A	83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	5veu	CYTOCHROME P450 3A5 (Homo sapiens)	5 / 12	ARG A 105 SER A 119 ALA A 305 THR A 309 ALA A 370	HEM  A 601 (-2.8A) RIT  A 602 (-3.7A) HEM  A 601 (-3.4A) HEM  A 601 ( 3.5A) RIT  A 602 (-3.3A)	0.89A	83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	5veu	CYTOCHROME P450 3A5 (Homo sapiens)	5 / 12	ARG A 106 PHE A 304 ALA A 305 THR A 309 ALA A 370	RIT  A 602 ( 4.0A) RIT  A 602 (-3.7A) HEM  A 601 (-3.4A) HEM  A 601 ( 3.5A) RIT  A 602 (-3.3A)	1.07A	83.37
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.	3UA1_A_08YA600_1 (CYTOCHROME P450 3A4)	6bsz	METABOTROPIC GLUTAMATE RECEPTOR 8 (Homo sapiens)	5 / 12	ASP A  45 ARG A 101 ILE A 102 THR A  97 ALA A  37	None SO4  A 603 ( 4.7A) None None SO4  A 603 (-4.1A)	1.33A	11.25
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	2iik	3-KETOACYL-COA THIOLASE, PEROXISOMAL (Homo sapiens)	5 / 12	SER A 207 PHE A 220 ALA A 373 THR A 383 GLU A 394	None	1.17A	21.98
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	2wya	HYDROXYMETHYLGLUTARY L-COA SYNTHASE, MITOCHONDRIAL (Homo sapiens)	5 / 12	ASP A 444 ILE A  56 THR A 383 ALA A 213 GLU A  60	None	1.21A	21.83
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	3gd8	AQUAPORIN-4 (Homo sapiens)	5 / 12	ILE A 110 ALA A  99 THR A 167 ALA A 244 GLU A 249	None	1.28A	17.76
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	3ksy	SON OF SEVENLESS HOMOLOG 1 (Homo sapiens)	5 / 12	PHE A 331 THR A 549 PHE A 230 ALA A 321 GLU A 333	None	1.15A	19.41
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	4gtu	GLUTATHIONE S-TRANSFERASE (Homo sapiens)	5 / 12	PHE A 202 ASP A 164 PHE A 157 ILE A 152 ALA A 195	None	1.24A	18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	4ny4	CYTOCHROME P450 3A4 (Homo sapiens)	11 / 12	PHE A  57 ASP A  76 PHE A 108 SER A 119 ILE A 120 PHE A 215 THR A 224 ALA A 305 THR A 309 ALA A 370 GLU A 374	None None 2QH  A 602 (-4.4A) 2QH  A 602 (-3.9A) None 2QH  A 602 (-3.9A) None 2QH  A 602 ( 3.6A) 2QH  A 602 ( 3.7A) 2QH  A 602 ( 3.1A) 2QH  A 602 ( 4.8A)	0.62A	98.35
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	5b25	CALCIUM/CALMODULIN-D EPENDENT 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 1B (Homo sapiens)	5 / 12	PHE A 301 ILE A 297 PHE A 258 ALA A 261 ALA A 210	None	1.26A	19.68
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	5kdi	PLECKSTRIN HOMOLOGY DOMAIN-CONTAINING FAMILY A MEMBER 8 (Homo sapiens)	5 / 12	ASP A 347 PHE A 466 ILE A 429 ALA A 436 THR A 440	None	1.27A	12.87
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	5sx4	EPIDERMAL GROWTH FACTOR RECEPTOR (Homo sapiens)	5 / 12	SER M 326 ILE M 327 PHE M 396 ALA M 385 ALA M 415	None	1.12A	19.08
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	5va3	POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2 (Homo sapiens)	5 / 12	PHE A 781 ILE A 804 PHE A 758 THR A 760 PHE A 852	None	1.18A	21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	5veu	CYTOCHROME P450 3A5 (Homo sapiens)	5 / 12	PHE A 304 ALA A 305 THR A 309 ALA A 370 GLU A 374	RIT  A 602 (-3.7A) HEM  A 601 (-3.4A) HEM  A 601 ( 3.5A) RIT  A 602 (-3.3A) RIT  A 602 ( 4.8A)	1.05A	82.55
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	6cet	GATOR COMPLEX PROTEIN DEPDC5 (Homo sapiens)	5 / 12	ILE D 803 PHE D1286 THR D1355 ALA D 795 GLU D 979	None	1.20A	13.05
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.	5VCG_A_08YA602_1 (CYTOCHROME P450 3A4)	6cet	GATOR COMPLEX PROTEIN DEPDC5 (Homo sapiens)	5 / 12	PHE D 802 PHE D1286 THR D1355 ALA D 795 GLU D 979	None	1.27A	13.05
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	1em2	MLN64 PROTEIN (Homo sapiens)	3 / 3	ARG A 352 ARG A 355 ARG A 351	None	1.00A	18.01
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	2gjt	RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE PTPRO (Homo sapiens)	3 / 3	ARG A 967 ARG A1142 ARG A1044	None	1.01A	19.38
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	2k6g	REPLICATION FACTOR C SUBUNIT 1 (Homo sapiens)	3 / 3	ARG A 452 ARG A 423 ARG A 388	None	0.90A	14.00
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	2nlk	PROTEIN TYROSINE PHOSPHATASE, RECEPTOR TYPE, G VARIANT (FRAGMENT) (Homo sapiens)	3 / 3	ARG A 879 ARG A1066 ARG A 958	None	1.02A	22.84
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	2v8s	CLATHRIN INTERACTOR 1 (Homo sapiens)	3 / 3	ARG E 102 ARG E 149 ARG E  96	None	1.02A	14.49
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	3bvh	FIBRINOGEN ALPHA CHAIN (Homo sapiens)	3 / 3	ARG A 162 ARG A 167 ARG A 171	None	0.88A	11.51
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	3ghg	FIBRINOGEN ALPHA CHAIN (Homo sapiens)	3 / 3	ARG A 162 ARG A 167 ARG A 171	ARG  A 162 ( 0.6A) ARG  A 167 ( 0.6A) ARG  A 171 ( 0.6A)	0.93A	18.57
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	3un9	NLR FAMILY MEMBER X1 (Homo sapiens)	3 / 3	ARG A 860 ARG A 895 ARG A 884	None	0.75A	24.00
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	4qbr	DNA (CYTOSINE-5)-METHYLT RANSFERASE 3A (Homo sapiens)	3 / 3	ARG A 488 ARG A 478 ARG A 476	None None ZN  A 702 ( 4.8A)	0.83A	12.18
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	5cj4	XRCC4-MYH7-(1562-162 2) CHIMERA PROTEIN (Homo sapiens)	3 / 3	ARG A1608 ARG A1613 ARG A1606	MLY  A1615 ( 4.2A) None None	0.81A	18.80
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	5f8p	ALPHA-KETOGLUTARATE- DEPENDENT DIOXYGENASE FTO (Homo sapiens)	3 / 3	ARG A 380 ARG A 455 ARG A 112	None None SO4  A 601 (-2.8A)	0.97A	21.28
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	5mra	SORCIN (Homo sapiens)	3 / 3	ARG A 167 ARG A  84 ARG A 174	None	0.95A	16.77
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.	5VCG_A_08YA602_2 (CYTOCHROME P450 3A4)	6b5i	RETINAL DEHYDROGENASE 2 (Homo sapiens)	3 / 3	ARG A 117 ARG A 148 ARG A 115	None	0.82A	11.11