Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00319147
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 |
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 | 0.7 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.71 | |
D18 | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.72 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
DRS | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.75 | |
DRR | A,B | 3BXR | 0.75 | ||
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 | |
SBI | SORBINIL | A | 1AH0 | 0.88 | |
SBI | SORBINIL | A | 2PDK | 0.88 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.7 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.75 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.73 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.73 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.73 | |
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 | 0.73 | |
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 | 0.71 | |
NHN | A,C | 2GVF | 0.72 | ||
CJO | [(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]- 4-(4-hydroxybenzyl)-5-oxoimidazolidin- 1-yl]acetic acid | A | 2QT2 | 0.7 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.72 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.75 | |
177 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.7 | |
D24 | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN- 5-YLAMINO-1-AMINOMETHYL]-PHEN-1- YL]FURAN | B | 1EEL | 0.7 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.74 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.71 | |
FIR | (2R,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 1X97 | 0.83 | |
TF3 | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.71 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.75 | |
ROL | ROLIPRAM | A,B | 1XMY | 0.75 | |
ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.75 | |
ROL | ROLIPRAM | A,B | 1RO6 | 0.75 | |
ROL | ROLIPRAM | A,B | 1XN0 | 0.75 | |
ROL | ROLIPRAM | A,B | 1TBB | 0.75 | |
H24 | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.72 | |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.72 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AH8 | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1HCJ | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7S | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7T | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 2AHA | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EME | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B | 1KP5 | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EMM | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 1EML | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1W7U | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A,B,C,D | 1EMC | 0.7 | |
CSY | [4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY- 1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN- 1-YL]-ACETIC ACID | A | 2HPW | 0.7 | |
FIS | (2S,4R)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 3BCJ | 0.83 | |
FIS | (2S,4R)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 1X98 | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PDW | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2AGT | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PF8 | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PFH | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 1PWM | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PEV | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PDY | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A,B | 1EF3 | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 2PD9 | 0.83 | |
FID | (2S,4S)-2-AMINOFORMYL-6-FLUORO- SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]- 2',5'-DIONE | A | 3H4G | 0.83 | |
D19 | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | A | 289D | 0.7 | |
HQQ | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE- 2,4,6-TRIONE | A,B,C | 1G4K | 0.79 | |
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 | 0.72 |