Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01594408
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 |
CNE![]() | (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]- 3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY- 3-OXOPROP-1-ENYL]PHENYL}ACETYL)- D-VALYL]AMINO}-4-OXOPENTANOIC ACID | A | 1RHR | 0.72 | ![]() |
843![]() | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE | A | 1O42 | 0.71 | ![]() |
SBI![]() | SORBINIL | A | 1AH0 | 0.8 | ![]() |
SBI![]() | SORBINIL | A | 2PDK | 0.8 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.7 | ![]() |
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 | ![]() |
DRR![]() | A,B | 3BXR | 0.74 | ![]() | |
0EZ![]() | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.7 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.71 | ![]() |
NHN![]() | A,C | 2GVF | 0.74 | ![]() | |
22U![]() | D-phenylalanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZC9 | 0.7 | ![]() |
HA2![]() | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.7 | ![]() |
BBB![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1G | 0.71 | ![]() |
CJO![]() | [(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]- 4-(4-hydroxybenzyl)-5-oxoimidazolidin- 1-yl]acetic acid | A | 2QT2 | 0.72 | ![]() |
BN5![]() | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2-METHYLPHENOXY]PENTANOIC ACID | A | 1WV1 | 0.7 | ![]() |
R23![]() | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.73 | ![]() |
177![]() | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.83 | ![]() |
CZO![]() | [(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]- 2-hydroxy-4-(4-hydroxybenzyl)-5- oxoimidazolidin-1-yl]acetic acid | A | 2QRF | 0.71 | ![]() |
C27![]() | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 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 | ![]() |
BN4![]() | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2,3-DIMETHYLPHENOXY]BUTANOIC ACID | A | 1WV0 | 0.71 | ![]() |
TF3![]() | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.79 | ![]() |
183![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)- DIONE | A,B,C,D,E,F | 1U1F | 0.7 | ![]() |
ZYA![]() | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.71 | ![]() |
462![]() | N-[amino(imino)methyl]-2-[2-(2- chlorophenyl)-4-(4-propoxyphenyl)- 3-thienyl]acetamide | A | 2QU3 | 0.72 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.74 | ![]() |
T76![]() | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL- 2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H- PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA- CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)- TETRONE | A,H | 1NT1 | 0.81 | ![]() |
FIS![]() | (2S,4R)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 3BCJ | 0.76 | ![]() |
FIS![]() | (2S,4R)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 1X98 | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PDW | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2AGT | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PF8 | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PFH | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 1PWM | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PEV | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PDY | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A,B | 1EF3 | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PD9 | 0.76 | ![]() |
FID![]() | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 3H4G | 0.76 | ![]() |
D18![]() | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.71 | ![]() |
PI8![]() | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 0.71 | ![]() |
14A![]() | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY- 3-CHLORO-N-CYCLOPENTYLBENZAMIDE | H,I | 1T4V | 0.72 | ![]() |
PI5![]() | 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-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.73 | ![]() |
IMY![]() | 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2- ISOPROPOXY-4-METHOXYPHENYL)-4,5- DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE | A | 1TTV | 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 | 0.74 | ![]() |
FIR![]() | (2R,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 1X97 | 0.76 | ![]() |
BBH![]() | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1D8M | 0.72 | ![]() |
BBH![]() | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1G05 | 0.72 | ![]() |
INZ![]() | 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY- 2-PHENYLETHYL]AMINO}CARBONYL)AMINO]- 3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID | A | 1G7F | 0.7 | ![]() |
PEM![]() | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID | A,B | 1IWH | 0.73 | ![]() |
PHW![]() | BETA-PHENYL-N-{[(PHENYLMETHYL)OXY]CARBONYL}- D-PHENYLALANYL-N- [(1S,3E)-1-[DIHYDROXY(METHYLOXY)(PHENYLOXY)- LAMBDA5-PHOSPHANYL]-4- (METHYLOXY)BUT- 3-ENYL]-D-PROLINAMIDE | I,K | 1H8I | 0.71 | ![]() |
PHW![]() | BETA-PHENYL-N-{[(PHENYLMETHYL)OXY]CARBONYL}- D-PHENYLALANYL-N- [(1S,3E)-1-[DIHYDROXY(METHYLOXY)(PHENYLOXY)- LAMBDA5-PHOSPHANYL]-4- (METHYLOXY)BUT- 3-ENYL]-D-PROLINAMIDE | I,K | 1H8D | 0.71 | ![]() |
HQQ![]() | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE- 2,4,6-TRIONE | A,B,C | 1G4K | 0.71 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.7 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AH8 | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1HCJ | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7S | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7T | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AHA | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EME | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 1KP5 | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EMM | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EML | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7U | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1EMC | 0.72 | ![]() |
CSY![]() | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 2HPW | 0.72 | ![]() |
PI6![]() | [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO- 2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YLAMINO)- 2-HYDROXY-PROPYL] -CARBAMIC ACID TERT- BUTYL ESTER | A,B | 1B6M | 0.7 | ![]() |
H24![]() | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.74 | ![]() |
HTA![]() | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.74 | ![]() |