Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03370755
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
190![]() | N-{(1S)-1-(3-BROMOBENZYL)-4-[(4- BROMOPHENYL)SULFONYL]-6-METHYL- 2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE | A,B | 1XL5 | 0.74 | ![]() |
0EZ![]() | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.7 | ![]() |
AIJ![]() | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4- {[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP9 | 0.79 | ![]() |
AGG![]() | TIROFIBAN | A,B | 2VDM | 0.74 | ![]() |
C5M![]() | N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]- 2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY- 2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C8X | 0.73 | ![]() |
E4D![]() | (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)- 2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN- 6-OL | A | 1SJ0 | 0.78 | ![]() |
AIT![]() | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4- {[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XPC | 0.79 | ![]() |
C4M![]() | N-[(2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C93 | 0.78 | ![]() |
DJR![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL [(1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE | A | 2I4U | 0.74 | ![]() |
DJR![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL [(1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE | B | 2I4V | 0.74 | ![]() |
CMQ![]() | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.73 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.71 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.71 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.71 | ![]() |
AIU![]() | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP6 | 0.77 | ![]() |
EIN![]() | A | 1ZS0 | 0.72 | ![]() | |
AIH![]() | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP1 | 0.77 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QCI | 0.7 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QD6 | 0.7 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QD8 | 0.7 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2Z4O | 0.7 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 2QD7 | 0.7 | ![]() |
065![]() | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(2S,3R)-3-HYDROXY-4- (N-ISOBUTYLBENZO[D][1,3]DIOXOLE- 5-SULFONAMIDO)-1-PHENYLBUTAN-2- YLCARBAMATE | A,B | 3ECG | 0.7 | ![]() |
FIN![]() | A | 1ZVX | 0.72 | ![]() | |
ANM![]() | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.74 | ![]() |
ANM![]() | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.74 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.72 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.72 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.71 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.71 | ![]() |