Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00084050
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 |
P14 | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.75 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.79 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.71 | |
GNT | (-)-GALANTHAMINE | A | 1DX6 | 0.77 | |
GNT | (-)-GALANTHAMINE | A | 1QTI | 0.77 | |
GNT | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.77 | |
GNT | (-)-GALANTHAMINE | A,B | 1W76 | 0.77 | |
GNT | (-)-GALANTHAMINE | A | 1W6R | 0.77 | |
C41 | ALISKIREN | C,O | 2V0Z | 0.7 | |
5RM | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.77 | |
771 | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO- 5-METHOXY-BENZYLAMINO)-BENZAMIDINE | H,L | 1W0Y | 0.71 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.73 | |
NMB | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS- PHENOXYMETHYL-[1,2,7]THIADIAZEPANE- 4,5-DIOL | A | 1AJV | 0.7 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.7 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1Z2B | 0.72 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 3DU7 | 0.72 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,D,F,G | 3EDL | 0.72 | |
CN2 | 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY- 9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN- 7-YL]ACETAMIDE | A,B,C,D | 1SA0 | 0.72 | |
XX6 | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.7 | |
TL3 | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5B | 0.74 | |
451 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 0.71 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.74 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.74 | |
XX7 | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.7 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.73 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.81 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.76 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.75 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
TL4 | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5U | 0.76 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.73 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.76 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.75 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.76 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.71 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.74 | |
ROL | ROLIPRAM | A,B | 1XMY | 0.74 | |
ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.74 | |
ROL | ROLIPRAM | A,B | 1RO6 | 0.74 | |
ROL | ROLIPRAM | A,B | 1XN0 | 0.74 | |
ROL | ROLIPRAM | A,B | 1TBB | 0.74 | |
DPD | A,B | 1QIW | 0.84 | ||
DPD | A | 1QIV | 0.84 | ||
C61 | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.71 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.7 | |
GMN | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N- TRIETHYLETHANAMINIUM] | A,B | 1N5M | 0.74 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.75 | |
442 | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2- PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE- 1,1-DIOL | A | 1R6G | 0.72 | |
REN | (S)-reticuline | A | 3FWA | 0.76 | |
REN | (S)-reticuline | A | 3D2D | 0.76 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.74 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.74 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.71 | |
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.74 | |
F1I | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.72 | |
TL1 | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y59 | 0.75 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.71 | |
LOC | N-[(7S)-1,2,3,10-tetramethoxy-9- oxo-6,7-dihydro-5H-benzo[d]heptalen- 7-yl]ethanamide | A,B,C,D | 3E22 | 0.75 | |
DRR | A,B | 3BXR | 0.71 | ||
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.73 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.75 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.75 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.75 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.75 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.72 | |
TL2 | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5A | 0.76 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.72 | |
MR1 | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.76 |