Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00563595
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 |
IHU | N-(2-CHLORO-4-FLUOROBENZOYL)-N'- (5-HYDROXY-2-METHOXYPHENYL)UREA | A,B | 2ATI | 0.7 |  |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.77 | |
CNO | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID | A,B,C,D | 1K0Y | 0.7 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.74 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.73 | |
| EDR | EDROPHONIUM ION | A | 2ACK | 0.73 | |
MBQ | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | A | 1SIH | 0.75 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.71 | |
P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.72 | |
2AF | 2-AMINOPHENOL | A | 1L4N | 0.71 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.72 | |
NBQ | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)TYROSINE | A | 1SII | 0.7 | |
B66 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.72 | |
SN9 | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.71 | |
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 | 0.71 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.78 | |
ILH | A | 2FQI | 0.71 | | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.75 | |
790 | 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4F | 0.74 | |
TCC | 2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL | A,B | 1NHW | 0.73 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.7 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.72 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.72 | |
331 | (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]- 1-HEPTYLUREIDO)ETHYL]PHENOXY)-2- METHYLBUTYRIC ACID | A,B | 1Y0S | 0.72 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.73 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.76 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.72 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.72 | |
B11 | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.76 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.73 | |
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 | 0.72 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.72 | |
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 | 0.71 | |
| PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.71 | |
3B6 | (2S)-N-(4-cyano-3-iodophenyl)-3- (4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | A | 3B65 | 0.74 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.79 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.74 | |
4BU | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.75 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.73 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.77 | |
3FT | A | 2BXV | 0.72 | | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.7 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.72 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.74 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.78 | |
| 2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.78 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.73 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.73 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.73 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.73 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.73 | |
LO2 | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}- 1,1,1,3,3,3-hexafluoropropan-2- ol | A,B,C,D | 3FAL | 0.71 | |
N4E | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.74 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.72 | |
MXX | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.73 | |
HPF | 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE | A,B | 1TJP | 0.75 | |
RQ3 | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.73 | |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.79 | |