Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03124542
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 |
FIN![]() | A | 1ZVX | 0.71 | ![]() | |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.74 | ![]() |
KGQ![]() | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)- HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)- 3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE | B | 2I4W | 0.72 | ![]() |
KGQ![]() | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)- HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)- 3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE | B | 2I4X | 0.72 | ![]() |
EIN![]() | A | 1ZS0 | 0.71 | ![]() | |
G55![]() | (5R)-1,3-dioxepan-5-yl [(1S,2R)- 1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DJK | 0.76 | ![]() |
HBH![]() | 2-[(8S,11S)-11-{(1R)-1-HYDROXY- 2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}- 6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA- 1(15),13,16-TRIEN-8-YL]ACETAMIDE | A,B | 1Z1R | 0.71 | ![]() |
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 | 0.76 | ![]() |
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 | 0.76 | ![]() |
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 | 0.76 | ![]() |
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 | 0.76 | ![]() |
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 | 0.76 | ![]() |
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 | 0.76 | ![]() |
F1N![]() | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide | A | 2ZJN | 0.7 | ![]() |
Y12![]() | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.81 | ![]() |
G05![]() | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin- 6-yl [(1S,2R)-1-benzyl-2-hydroxy- 3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DK1 | 0.74 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.71 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.72 | ![]() |
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 | 0.75 | ![]() |
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 | 0.75 | ![]() |
BYM![]() | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL- 5-YL)METHYLENE]-1,3-THIAZOLIDINE- 2,4-DIONE | A | 2A4Z | 0.73 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.73 | ![]() |
HBB![]() | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8- ISOPROPYL-6,9-DIOXO-2-OXA-7,10- DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16- TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | A,B | 1Z1H | 0.73 | ![]() |
MZ9![]() | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.74 | ![]() |
MUU![]() | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3- METHOXYPHENYL)SULFONYL]AMINO}-2- HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE | A,B | 2PSU | 0.74 | ![]() |
189![]() | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.72 | ![]() |
NOQ![]() | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4- METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | A | 2F7D | 0.72 | ![]() |
GGO![]() | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.74 | ![]() |
QFI![]() | ({4-[(2S,3R)-2-({[(3R,3AS,6AR)- HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)- 3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID | B | 2I4D | 0.73 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.7 | ![]() |
F1M![]() | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(4-sulfamoylphenoxy)acetamide | A | 2ZJM | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.7 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.7 | ![]() |
SPI![]() | N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL- 4-BENZYLOXYCARBONYL-PIPERAZINE- 2-CARBOXAMIDE | A,B | 1D8F | 0.71 | ![]() |
MUV![]() | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2- FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}- N'-METHYLSUCCINAMIDE | A,B | 2PSV | 0.73 | ![]() |