Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02446658
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 |
903![]() | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-METHOXYCARBONYL-PHENYL}- 2-FLUORO-MALONIC ACID | A | 1O46 | 0.71 | ![]() |
1BH![]() | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.72 | ![]() |
FKA![]() | BENZYL-CARBAMIC ACID [8-DEETHYL- ASCOMYCIN-8-YL]ETHYL ESTER | B | 1A7X | 0.7 | ![]() |
BEC![]() | [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)- 3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]- PENTANOYL]-VALINYL-AMIDO-METHANE | B | 1EBZ | 0.71 | ![]() |
PH5![]() | 2-PHENYL-PROP5AC | A,B | 2BVE | 0.79 | ![]() |
BDU![]() | ME-A-9-N-(BIPHENYL-4-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1ODA | 0.79 | ![]() |
0E3![]() | N-acetyl-L-valyl-O-benzyl-L-threonyl- N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}propyl]-L-leucinamide | A | 2Z3C | 0.7 | ![]() |
BEH![]() | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2- HYDROXY-INDAN-1-YL)-AMIDE | B | 1D4H | 0.71 | ![]() |
F68![]() | N-{[(4-methylphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QLM | 0.72 | ![]() |
ARQ![]() | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.7 | ![]() |
B1L![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.79 | ![]() |
186![]() | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.75 | ![]() |
AI1![]() | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.76 | ![]() |
MC1![]() | METHICILLIN ACYL-SERINE | A,B | 1MWU | 0.72 | ![]() |
CS7![]() | N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN- 2-YL]-1-(3,5-DIFLUOROBENZYL)-2- HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMD | 0.76 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.72 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.73 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.73 | ![]() |
BA1![]() | BALANOL | A | 1BX6 | 0.71 | ![]() |
OTG![]() | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.78 | ![]() |
BD2![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.72 | ![]() |
EB4![]() | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide) | A,B,C | 3CMP | 0.73 | ![]() |
MUS![]() | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.7 | ![]() |
NHN![]() | A,C | 2GVF | 0.7 | ![]() | |
WR1![]() | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.71 | ![]() |
BEG![]() | 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS- [(2-HYDROXY-INDAN-1-YL)-AMIDE] | A | 1D4I | 0.71 | ![]() |
EJT![]() | 1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)- CARBOMYL 5-METHYAZIDO-BENZENE | A,B | 1QGL | 0.72 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.74 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.74 | ![]() |
TA1![]() | TAXOL | A,B | 1JFF | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,C | 2HXH | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,N | 3DCO | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,K | 2P4N | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,D,F,G | 3EDL | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,C | 2HXF | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,C | 2WBE | 0.73 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.71 | ![]() |
BZD![]() | A | 1K06 | 0.71 | ![]() | |
BZD![]() | A | 1K08 | 0.71 | ![]() | |
BZD![]() | A | 2QNB | 0.71 | ![]() | |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.73 | ![]() |
BFN![]() | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.76 | ![]() |
AG6![]() | N-[(benzyloxy)carbonyl]-L-alpha- glutamyl-N-[(1S)-4-oxo-4-phenyl- 1-propylbut-2-en-1-yl]-L-phenylalaninamide | A | 3FRZ | 0.72 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.7 | ![]() |
KAF![]() | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.72 | ![]() |
TXL![]() | TAXOTERE | A,B,K | 1IA0 | 0.72 | ![]() |
TXL![]() | TAXOTERE | A,B | 1TUB | 0.72 | ![]() |
BND![]() | ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC | A | 1OD9 | 0.8 | ![]() |
BEI![]() | N,N-[2,5-O-[DIBENZYL]-GLUCARYL]- DI-[ISOLEUCYL-AMIDO-METHANE] | A | 1EBW | 0.7 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 1L6M | 0.7 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3CBC | 0.7 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3BY0 | 0.7 | ![]() |
SC6![]() | N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN- 1-YL]CARBONYL}-5-METHYLBENZAMIDE | A,B | 2QMG | 0.72 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.71 | ![]() |
COC![]() | COCAINE | A,C | 1I7Z | 0.7 | ![]() |
COC![]() | COCAINE | H | 1Q72 | 0.7 | ![]() |
COC![]() | COCAINE | L | 2AJV | 0.7 | ![]() |
COC![]() | COCAINE | A,B,C,D,E | 2PGZ | 0.7 | ![]() |
SUW![]() | ME-A-9-N-(NAPHTHYL-2-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1OD7 | 0.76 | ![]() |
ZFB![]() | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.71 | ![]() |
ZU5![]() | N-[(benzyloxy)carbonyl]-O-tert- butyl-L-threonyl-N-[(1R)-4-cyclopropyl- 4-oxo-1-{[(3S)-2-oxopyrrolidin- 3-yl]methyl}butyl]-L-leucinamide | A | 2ZU5 | 0.7 | ![]() |
ENB![]() | ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT- BUTOXYCARBONYL)-L-VALYL]AMINO}- 2-PHENYLETHANOYL)AMINO]-5-[(3S)- 2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | A,B | 2D2D | 0.71 | ![]() |
SBA![]() | CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE | A | 1BQI | 0.7 | ![]() |
CS9![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMF | 0.71 | ![]() |
RBE![]() | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1RIU | 0.73 | ![]() |
F59![]() | N-[(biphenyl-4-ylcarbonyl)carbamoyl]- beta-D-glucopyranosylamine | A | 2QLN | 0.71 | ![]() |
SB3![]() | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.71 | ![]() |
BEB![]() | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1EBY | 0.71 | ![]() |
77B![]() | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.75 | ![]() |
568![]() | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1WBK | 0.74 | ![]() |
NOL![]() | N-[(BENZYLOXY)CARBONYL]-O-(TERT- BUTYL)-L-THREONYL-3-CYCLOHEXYL- N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN- 3-YL]METHYL}ETHYL]-L-ALANINAMIDE | A | 2GX4 | 0.7 | ![]() |
C40![]() | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.7 | ![]() |