Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00986494
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 |
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 | 0.71 | ![]() |
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 | 0.77 | ![]() |
PZ1![]() | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.77 | ![]() |
U04![]() | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.7 | ![]() |
4BO![]() | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.71 | ![]() |
RPF![]() | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.72 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.7 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.73 | ![]() |
U02![]() | [2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY- 2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL- METHYL}-PHENYLCARBAMOYL)-ETHYL]- CARBAMIC ACID TERT-BUTYL ESTER | A | 2UPJ | 0.73 | ![]() |
888![]() | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin- 3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin- 2(1H)-one | A,B | 2FVC | 0.72 | ![]() |
3B6![]() | (2S)-N-(4-cyano-3-iodophenyl)-3- (4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | A | 3B65 | 0.71 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1JLA | 0.71 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT2 | 0.71 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1S1V | 0.71 | ![]() |
SN9![]() | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.76 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.72 | ![]() |
RXB![]() | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.72 | ![]() |
R36![]() | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.73 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.76 | ![]() |
GWB![]() | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO- 3-ISOPROPYLQUINOLIN-2(1H)-ONE | A | 1TKX | 0.8 | ![]() |
H12![]() | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN- 2(1H)-ONE | A | 1TKT | 0.81 | ![]() |
VG2![]() | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.7 | ![]() |
R37![]() | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.72 | ![]() |
G3E![]() | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.73 | ![]() |
CP8![]() | A | 1UTT | 0.74 | ![]() | |
MXX![]() | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.74 | ![]() |
IN0![]() | N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL- PROPYL) -5-NAPHTHALEN-1-YL-2-OXO- 1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN- 3-YL]-ACETYL}-ASPARTIC ACID | A,B,C | 1EZF | 0.71 | ![]() |
VG7![]() | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.7 | ![]() |
MDC![]() | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.7 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.76 | ![]() |
H20![]() | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN- 2(1H)-ONE | A | 1TL3 | 0.81 | ![]() |
LI6![]() | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.81 | ![]() |
SK2![]() | (3R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | A | 2F6V | 0.7 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.72 | ![]() |
SH4![]() | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | H | 1UM4 | 0.72 | ![]() |