Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01230920
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 |
STH![]() | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.7 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.7 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.7 | ![]() |
2TN![]() | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.7 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.7 | ![]() |
DRR![]() | A,B | 3BXR | 0.74 | ![]() | |
P14![]() | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.73 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.75 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.73 | ![]() |
Y12![]() | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.76 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.7 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | ![]() |
VSC![]() | A | 1EWO | 0.7 | ![]() | |
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 | ![]() |
HV8![]() | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.7 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.75 | ![]() |
DBO![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.7 | ![]() |
MC1![]() | METHICILLIN ACYL-SERINE | A,B | 1MWU | 0.73 | ![]() |
TOL![]() | TOLRESTAT | A | 2PDL | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZD | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZB | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 1AH3 | 0.7 | ![]() |
TOL![]() | TOLRESTAT | X | 1ZUA | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 1AE4 | 0.7 | ![]() |
NFN![]() | 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1T9W | 0.7 | ![]() |
HV7![]() | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.71 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.75 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.75 | ![]() |
DPD![]() | A,B | 1QIW | 0.71 | ![]() | |
DPD![]() | A | 1QIV | 0.71 | ![]() | |
F1L![]() | N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJL | 0.76 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.73 | ![]() |
BBH![]() | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1D8M | 0.71 | ![]() |
BBH![]() | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1G05 | 0.71 | ![]() |
K21![]() | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.79 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.79 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.79 | ![]() |
HA2![]() | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.72 | ![]() |
CRV![]() | N-[1-(AMINOMETHYL)CYCLOPROPYL]- 3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2- TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]- L-ALANINAMIDE | A,B | 2FRA | 0.72 | ![]() |
PI7![]() | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL) - PROPYL]-3-METHYL-2-PROPIONYLAMINO- BUTYRAMIDE | A,B | 1B6P | 0.71 | ![]() |
F1I![]() | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.84 | ![]() |
ZYA![]() | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.71 | ![]() |
BHP![]() | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.72 | ![]() |
NOQ![]() | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4- METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | A | 2F7D | 0.78 | ![]() |
LDT![]() | IDD594 | A | 1US0 | 0.71 | ![]() |
LDT![]() | IDD594 | A | 3GHU | 0.71 | ![]() |
LDT![]() | IDD594 | A | 3GHT | 0.71 | ![]() |
LDT![]() | IDD594 | A | 2I17 | 0.71 | ![]() |
LDT![]() | IDD594 | A | 2QXW | 0.71 | ![]() |
LDT![]() | IDD594 | A | 3GHS | 0.71 | ![]() |
LDT![]() | IDD594 | A | 3GHR | 0.71 | ![]() |
LDT![]() | IDD594 | A | 2PEV | 0.71 | ![]() |
LDT![]() | IDD594 | A | 2I16 | 0.71 | ![]() |
LDT![]() | IDD594 | A | 2PF8 | 0.71 | ![]() |
LDT![]() | IDD594 | A | 2PFH | 0.71 | ![]() |
LDT![]() | IDD594 | A | 2R24 | 0.71 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.73 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.71 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.73 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.72 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.72 | ![]() |
MO9![]() | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2- (DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)- 2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | A,B | 2G7Y | 0.75 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.74 | ![]() |
R22![]() | 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN- 2-YLMETHYLSULFANYLMETHYL)-3-IODO- 6-METHYLPYRIDIN-2(1H)-ONE | A,B | 2BE2 | 0.71 | ![]() |
GNQ![]() | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HHN | 0.72 | ![]() |
GNQ![]() | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HH5 | 0.72 | ![]() |
HBB![]() | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8- ISOPROPYL-6,9-DIOXO-2-OXA-7,10- DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16- TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | A,B | 1Z1H | 0.7 | ![]() |
189![]() | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.73 | ![]() |
HTA![]() | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.73 | ![]() |
MZ9![]() | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.72 | ![]() |
MUU![]() | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3- METHOXYPHENYL)SULFONYL]AMINO}-2- HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE | A,B | 2PSU | 0.72 | ![]() |
AL9![]() | N-[(4-METHOXYPHENYL)METHYL]2,5- THIOPHENEDESULFONAMIDE | A | 1BN4 | 0.7 | ![]() |
P12![]() | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.73 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.75 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.7 | ![]() |
LIJ![]() | BENZYL [(1S)-2-({(1S,2R)-1-BENZYL- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)- 2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE | A,B,C | 2HIZ | 0.77 | ![]() |