Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01181145
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 |
UIP![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | H,I | 1YPE | 0.76 | ![]() |
UIP![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3W | 0.76 | ![]() |
NHN![]() | A,C | 2GVF | 0.73 | ![]() | |
PI8![]() | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 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 | 0.8 | ![]() |
DK2![]() | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.74 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.72 | ![]() |
UIZ![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE | A | 1YP9 | 0.77 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.71 | ![]() |
997![]() | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO- PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY- PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | A | 1TFT | 0.71 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.72 | ![]() |
2FF![]() | (5-(aminomethyl)-2H-spiro[benzofuran- 3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan- 2-yl)methanone | A,B,C,D | 2ZA5 | 0.72 | ![]() |
XN2![]() | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)- PENTANAMIDE | A,B | 1K6V | 0.78 | ![]() |
CX6![]() | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.71 | ![]() |
CS5![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.7 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.77 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.71 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.71 | ![]() |
DEO![]() | A,B | 1ROS | 0.77 | ![]() | |
XN3![]() | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6P | 0.78 | ![]() |
380![]() | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.7 | ![]() |
GL8![]() | GALANTHAMINE DERIVATIVE | A | 1W4L | 0.74 | ![]() |
EH5![]() | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.77 | ![]() |
UIQ![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3U | 0.76 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.75 | ![]() |
IN3![]() | 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)- 5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE | A | 1AYW | 0.7 | ![]() |
LZP![]() | 4,4'-piperazine-1,4-diylbis{1-[3- (benzyloxy)phenyl]-4-oxobutane- 1,3-dione} | A | 3EAX | 0.72 | ![]() |
SHY![]() | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL- 5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | H | 1VZQ | 0.72 | ![]() |
MR0![]() | N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- N~1~,N~1~-DIPROPYLBENZENE-1,3,5- TRICARBOXAMIDE | A,B,C | 2P83 | 0.7 | ![]() |
UIB![]() | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL- 5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL- 6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL- 1-YL}-BENZAMIDINE | H,I | 1YPJ | 0.78 | ![]() |
UIB![]() | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL- 5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL- 6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL- 1-YL}-BENZAMIDINE | A | 1Y3X | 0.78 | ![]() |
L75![]() | N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)- PHENYLMETHYL-4(S)-HYDROXY-5-[4- [2-BENZOFURANYLMETHYL]-2(S)-[TERT- BUTYLAMINOCARBONYL]-PIPERAZINYL]- PENTANEAMIDE | B | 1C70 | 0.72 | ![]() |
AI1![]() | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.73 | ![]() |
UIR![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3V | 0.76 | ![]() |
UIR![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | H,I | 1YPG | 0.76 | ![]() |
UIR![]() | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL- 5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO- PYRROLO[3,4-A]PYRROLIZIN-4-YL)- BENZAMIDINE | A | 1Y3Y | 0.76 | ![]() |
HWG![]() | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.73 | ![]() |
CC1![]() | {4-[2-ACETYLAMINO-2-(3-CARBAMOYL- 2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO- 5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)- ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | A,B | 1FBZ | 0.71 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.72 | ![]() |