Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00711022
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 |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.78 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.78 | ![]() |
TL3![]() | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5B | 0.77 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.78 | ![]() |
DR6![]() | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.71 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.8 | ![]() |
TNT![]() | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.86 | ![]() |
TNT![]() | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.86 | ![]() |
TL2![]() | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5A | 0.75 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.71 | ![]() |
P14![]() | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.74 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.72 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.72 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.72 | ![]() |
167![]() | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5- (3-METHOXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ6 | 0.71 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.71 | ![]() |
JT6![]() | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.7 | ![]() |
BGF![]() | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.72 | ![]() |
SAG![]() | (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE] | A,B | 2V5Z | 0.74 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.75 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.75 | ![]() |
PET![]() | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.85 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.71 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A | 1IKT | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2Q32 | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 1UEH | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2D4Q | 0.71 | ![]() |
P12![]() | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.72 | ![]() |
DID![]() | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.87 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.76 | ![]() |
FIL![]() | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.76 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.85 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.79 | ![]() |
TL4![]() | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5U | 0.75 | ![]() |
TL1![]() | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y59 | 0.75 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.71 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.74 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.72 | ![]() |
HV7![]() | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.7 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.71 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.85 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.85 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.85 | ![]() |
PNT![]() | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.85 | ![]() |
BPF![]() | 2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN | A,B | 360D | 0.7 | ![]() |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.71 | ![]() |
EGC![]() | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.71 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.75 | ![]() |