Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01232152
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 |
N4E | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.79 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.78 | |
NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 1ZWP | 0.73 | |
NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 3E9X | 0.73 | |
NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 2OTH | 0.73 | |
NCH | P-NITROPHENYL-PHOSPHOCHOLINE | L | 1DL7 | 0.73 | |
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | B | 2FS4 | 0.7 | |
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.7 | |
HBO | 2,4-DIHYDROXY-7-(METHYLOXY)-2H- 1,4-BENZOXAZIN-3(4H)-ONE | A,B | 1E56 | 0.73 | |
HBO | 2,4-DIHYDROXY-7-(METHYLOXY)-2H- 1,4-BENZOXAZIN-3(4H)-ONE | A,B | 1H49 | 0.73 | |
HBO | 2,4-DIHYDROXY-7-(METHYLOXY)-2H- 1,4-BENZOXAZIN-3(4H)-ONE | A,B | 1E4N | 0.73 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.7 | |
B66 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.72 | |
PDE | PARA-NITROPHENYL PHOSPHONOBUTANOYL D- ALANINE | L | 1KN4 | 0.75 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDU | 0.7 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDC | 0.7 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDP | 0.7 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PZN | 0.7 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDJ | 0.7 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2IKJ | 0.7 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.73 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.77 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.72 | |
R37 | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.7 | |
P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.71 | |
PGG | PARA-NITROPHENYLPHOSPHONOBUTANOYL- GLYCINE | L | 1YEI | 0.75 | |
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 | 0.75 | |
PNF | 6-{4-[HYDROXY-(4-NITRO-PHENOXY)- PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID | L | 1YEJ | 0.73 | |
B68 | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.77 | |
PNJ | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZU | 0.76 | |
PNJ | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZT | 0.76 | |
BIQ | BENZYL [12-(2-AMINO-2-OXOETHYL)- 4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]- 2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA- 1(19),3(22),4,6,17,20-HEXAEN-9- YL]CARBAMATE | H,V | 2GPL | 0.72 | |
EPY | 1-HYDROXY-2-S-GLUTATHIONYL-3-PARA- NITROPHENOXY-PROPANE | A,B,C,D | 1C72 | 0.77 | |
B67 | (2S)-2-hydroxy-2-methyl-N-[4-nitro- 3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | A | 3B67 | 0.74 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.7 | |
PNE | PARA-NITROPHENYL PHOSPHONOBUTANOYL L- ALANINE | L | 1KN2 | 0.75 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX8 | 0.74 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX7 | 0.74 | |
FHM | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AXA | 0.74 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.77 | |
4BU | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.7 |