Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03039341
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 |
GVB![]() | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.71 | ![]() |
R36![]() | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.72 | ![]() |
MBQ![]() | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | A | 1SIH | 0.73 | ![]() |
U04![]() | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.72 | ![]() |
PI9![]() | A,B | 1D4L | 0.72 | ![]() | |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.75 | ![]() |
A32![]() | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H,L, M,O,P,V,W,X, Y,Z | 1JQY | 0.72 | ![]() |
P28![]() | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.72 | ![]() |
PTI![]() | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.72 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.77 | ![]() |
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 | 0.78 | ![]() |
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 | 0.78 | ![]() |
P32![]() | 4-{[(2S)-3-(tert-butylamino)-2- hydroxypropyl]oxy}-3H-indole-2- carbonitrile | A,B,C,D | 2VT4 | 0.71 | ![]() |
BRX![]() | BROMAMPHENICOL | A,B,C,D,E,F | 2JKL | 0.7 | ![]() |
PNJ![]() | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZU | 0.74 | ![]() |
PNJ![]() | PNP-BETA-D-GLUCOSAMINE | A,B | 2VZT | 0.74 | ![]() |
1DM![]() | N-(2-MORPHOLIN-4-YL-1-MORPHOLIN- 4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5- TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-2-YLOXY)-BENZAMIDE | D,E,F,G,H | 1PZI | 0.71 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.73 | ![]() |
MNX![]() | 1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE | A | 1M2Q | 0.7 | ![]() |
RPF![]() | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.74 | ![]() |
A24![]() | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H | 1JR0 | 0.73 | ![]() |
EPY![]() | 1-HYDROXY-2-S-GLUTATHIONYL-3-PARA- NITROPHENOXY-PROPANE | A,B,C,D | 1C72 | 0.71 | ![]() |
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 | 0.71 | ![]() |
CLC![]() | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.73 | ![]() |
B67![]() | (2S)-2-hydroxy-2-methyl-N-[4-nitro- 3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | A | 3B67 | 0.72 | ![]() |
4BU![]() | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.74 | ![]() |
J15![]() | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- ALPHA-BENZAMIDE | D,E,F,G,H | 1PZJ | 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 | ![]() |
B11![]() | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.76 | ![]() |
EPN![]() | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.75 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX8 | 0.72 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX7 | 0.72 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AXA | 0.72 | ![]() |
PNA![]() | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | A,B,C,D | 1VAM | 0.7 | ![]() |
VG4![]() | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.7 | ![]() |
B68![]() | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.75 | ![]() |
HA2![]() | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.71 | ![]() |
15B![]() | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- BETA-BENZAMIDE | D,E,F,G,H | 1PZJ | 0.72 | ![]() |
PI4![]() | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO- 2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2- HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1B6L | 0.7 | ![]() |
4BO![]() | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.75 | ![]() |
B66![]() | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.81 | ![]() |
NPJ![]() | 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL- ALPHA-D-GALACTOPYRANOSIDE | A,B,C | 2GGX | 0.71 | ![]() |
012![]() | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.74 | ![]() |
147![]() | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 1KRV | 0.7 | ![]() |
147![]() | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYW | 0.7 | ![]() |
PNG![]() | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A | 2ZOX | 0.7 | ![]() |
PNG![]() | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A,B,C,D | 1VAL | 0.7 | ![]() |