Binding Site Information of Target

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T23343 Target Info
Target Name Human immunodeficiency virus Capsid p24 (HIV p24)
Synonyms CA
Target Type Successful Target
Gene Name HIV p24
UniProt ID
POL_HV1B1
Drug Binding Sites of Target  Top
Ligand Name: N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-4-oxoquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-2H-cyclopenta[c]pyrazol-1-yl]acetamide Ligand Info
Structure Description Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide PDB:7SNN
Method X-ray diffraction Resolution 2.37 Å Mutation Yes [1]
PDB Sequence
PIVQNLQGQM
10
VHQCISPRTL
20
NAWVKVVEEK
30
AFSPEVIPMF
40
SALSCGATPQ
50

DLNTMLNTVG
60
GHQAAMQMLK
70
ETINEEAAEW
80
DRLHPVHAGP
90
IAPGQMREPR
100

GSDIAGTTST
110
LQEQIGWMTH
120
NPPIPVGEIY
130
KRWIILGLNK
140
IVRMYSPTSI
150

LDIRQGPKEP
160
FRDYVDRFYK
170
TLRAEQETLL
190
VQNANPDCKT
200
ILKALGPGAT
210

LEEMMTACQG
220
Residue
Distance (Å)
ASN53
3.351
LEU56
3.421
ASN57
2.410
GLN63
3.371
MET66
3.110
GLN67
3.216
LEU69
3.106
Residue
Distance (Å)
LYS70
2.971
ILE73
3.226
ASN74
3.033
ALA105
3.589
GLY106
3.505
THR107
2.994
TYR130
3.400
Ligand Name: N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide Ligand Info
Structure Description Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide PDB:7SNL
Method X-ray diffraction Resolution 2.39 Å Mutation Yes [2]
PDB Sequence
PIVQNLQGQM
10
VHQCISPRTL
20
NAWVKVVEEK
30
AFSPEVIPMF
40
SALSCGATPQ
50

DLNTMLNTVG
60
GHQAAMQMLK
70
ETINEEAAEW
80
DRLHPVHAGP
90
IAPGQMREPR
100

GSDIAGTTST
110
LQEQIGWMTH
120
NPPIPVGEIY
130
KRWIILGLNK
140
IVRMYSPTSI
150

LDIRQGPKEP
160
FRDYVDRFYK
170
TLRAEQETLL
190
VQNANPDCKT
200
ILKALGPGAT
210

LEEMMTACQG
220
Residue
Distance (Å)
ASN53
3.406
LEU56
3.069
ASN57
2.617
GLN63
3.500
MET66
3.234
GLN67
3.504
LEU69
3.188
Residue
Distance (Å)
LYS70
3.207
ILE73
3.363
ASN74
2.879
ALA105
3.683
GLY106
3.377
THR107
2.986
TYR130
3.423
References  Top
REF 1 Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
REF 2 Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.