Ligand ID: NHY


Drugbank ID:
DB01005
(Hydroxyurea)


Indication:
For management of melanoma, resistant chronic myelocytic leukemia, and recurrent, metastatic, or inoperable carcinoma of the ovary and Sickle-cell anemia.

Get human targets for NHY in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'NHY' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first 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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		1x7q HLA, A-11
(Homo
sapiens)		4 / 8
HIS A 260
VAL A 261
LEU A 272
THR A 258
1.39A23.93
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS B1164
HIS B1041
VAL B1042
LEU B1087
1.42A23.24
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 8
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.43A23.01
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.42A23.01
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS B 164
HIS B  41
VAL B  42
LEU B  87
1.38A23.05
None
ENB  B1145 (-3.4A)
None
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 8
VAL L  47
VAL L  48
LEU L  73
THR L  74
1.33A22.54
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 184
VAL H 182
LEU H 159
TRP H 154
1.26A22.74
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		4 / 8
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.40A19.26
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.42A23.24
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 8
HIS B 246
VAL B 247
LEU B 205
THR B 201
1.42A23.01
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
HIS B 246
VAL B 247
LEU B 205
THR B 201
1.44A23.10
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS A 164
VAL A 148
LEU A 177
THR A 175
1.37A23.24
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
VAL H 185
VAL H 183
LEU H 161
TRP H 156
1.24A26.77
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.43A23.38
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.42A23.30
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3i6g HLA, A-2
(Homo
sapiens)		4 / 8
HIS D 260
VAL D 261
LEU D 272
THR D 258
1.39A22.48
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3i6l HLA, A-24
(Homo
sapiens)		4 / 8
HIS D 260
VAL D 261
LEU D 272
THR D 258
1.40A22.33
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS D 246
VAL D 247
LEU B 205
THR B 201
1.27A23.24
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS B 246
VAL B 247
LEU B 205
THR B 201
1.43A23.24
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.39A23.01
None
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.
3UB9_A_NHYA301_1
(CHEMORECEPTOR TLPB)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
VAL E 404
TYR E 440
TYR E 481
LYS E 390
TYR E 491
1.76A20.00
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		4 / 8
HIS A 172
HIS B 172
LEU B 174
THR B 171
1.43A19.23
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
HIS C1040
VAL C 933
VAL C 934
LEU C 930
1.41A12.14
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
HIS A1030
VAL C1022
LEU A1016
TRP A 868
1.40A11.73
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
HIS B  70
HIS B  33
VAL B  66
LEU B 209
1.06A12.14
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
HIS B  70
HIS B  33
VAL B  66
LEU B 209
1.23A12.16
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6m0j ACE2
(Homo
sapiens)		4 / 8
HIS A 345
VAL A 343
LEU A 359
THR A 347
1.36A19.22
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6m17 ACE2
(Homo
sapiens)		4 / 8
HIS B 345
VAL B 343
LEU B 359
THR B 347
1.10A15.56
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
HIS A 661
VAL A 642
VAL A 675
THR A 662
1.41A11.83
None
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.
3UB9_A_NHYA301_1
(CHEMORECEPTOR TLPB)		6nur NSP12
(SARSr-CoV)		5 / 10
VAL A 844
ASN A 416
TYR A 887
TYR A 884
MET A 855
1.49A12.02
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6vw1 ACE2
(Homo
sapiens)		4 / 8
HIS A 345
VAL A 343
LEU A 359
THR A 347
1.34A19.22
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
VAL H 184
VAL H 182
LEU H 159
TRP H 154
1.29A19.62
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
HIS C 204
VAL C 152
VAL C 202
LEU C 181
1.60A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL B 188
VAL B 186
LEU B 163
TRP B 158
1.28A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
HIS L 204
VAL L 152
VAL L 202
LEU L 181
1.55A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 188
VAL H 186
LEU H 163
TRP H 158
1.30A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 188
VAL H 186
LEU H 163
TRP H 158
1.29A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 8
HIS L 204
VAL L 152
VAL L 202
LEU L 181
1.50A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
HIS L 204
VAL L 152
VAL L 202
LEU L 181
1.54A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
VAL H 188
VAL H 186
LEU H 163
TRP H 158
1.30A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
VAL B 188
VAL B 186
LEU B 163
TRP B 158
1.29A
None
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
HIS C 204
VAL C 152
VAL C 202
LEU C 181
1.54A
None