Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02286015
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 |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.73 | |
MFN | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHK | 0.7 | |
MFN | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHJ | 0.7 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.73 | |
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 | 0.72 | |
MUS | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.7 | |
BDS | 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID | A,B | 1JJT | 0.7 | |
POD | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.71 | |
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 | 0.7 | |
XM5 | 6-methoxy-9-methyl[1,3]dioxolo[4,5- h]quinolin-8(9H)-one | A,B | 3G5M | 0.7 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.73 | |
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 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.73 | |
HMT | (3beta)-O~3~-[(2R)-2,6-dihydroxy- 2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | 0,1,2,3,9,A, B,C,F,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3G6E | 0.73 | |
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 | 0.74 | |
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 | 0.74 | |
REN | (S)-reticuline | A | 3FWA | 0.71 | |
REN | (S)-reticuline | A | 3D2D | 0.71 | |
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 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.76 | |
DEO | A,B | 1ROS | 0.71 | ||
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 | 0.73 | |
AP1 | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 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 | 1Y3V | 0.71 | |
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 | 0.71 | |
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 | 0.71 | |
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 | 0.76 |