Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03211779
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 |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.73 |  |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.7 | |
| MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.7 | |
| MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.7 | |
| MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.7 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.73 | |
| EDR | EDROPHONIUM ION | A | 2ACK | 0.73 | |
N4E | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.71 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.76 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.77 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.71 | |
| RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.71 | |
| RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.71 | |
| RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.71 | |
| RHQ | RHODAMINE 6G | A | 1OY8 | 0.71 | |
| RHQ | RHODAMINE 6G | A | 1T9V | 0.71 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.82 | |
3B6 | (2S)-N-(4-cyano-3-iodophenyl)-3- (4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | A | 3B65 | 0.71 | |
R5A | RUTHENIUM WIRE, 5 CARBON LINKER | A | 2CFK | 0.7 | |
MDC | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.71 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.8 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.78 | |
AH1 | AHA001 | A | 1AJX | 0.72 | |
INL | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN- 4-YLMETHYL)-2H-THIENO[3,2-E]-1,2- THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | A | 1I8Z | 0.71 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.77 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.73 | |
426 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3- (CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | A | 1OWI | 0.7 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.71 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.74 | |
NMB | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS- PHENOXYMETHYL-[1,2,7]THIADIAZEPANE- 4,5-DIOL | A | 1AJV | 0.73 | |
4BU | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.71 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.71 | |
R9A | RUTHENIUM WIRE, 9 CARBON LINKER | A | 2CG0 | 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 | 0.76 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.72 | |
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 | 0.75 | |
B11 | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.76 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.71 | |
R7U | RUTHENIUM WIRE, 7 CARBON LINKER | A | 2CFW | 0.7 | |
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 | |
P32 | 4-{[(2S)-3-(tert-butylamino)-2- hydroxypropyl]oxy}-3H-indole-2- carbonitrile | A,B,C,D | 2VT4 | 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 | |
R6A | RUTHENIUM WIRE, 6 CARBON LINKER | A | 2CFL | 0.7 | |
L1R | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.72 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.8 | |
R5B | RUTHENIUM WIRE WC5 | A | 2CFK | 0.7 | |
SN9 | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.7 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.74 | |
DPD | A,B | 1QIW | 0.72 | | |
| DPD | A | 1QIV | 0.72 | | |
771 | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO- 5-METHOXY-BENZYLAMINO)-BENZAMIDINE | H,L | 1W0Y | 0.75 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.72 | |
GP8 | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA | A | 1BJV | 0.73 | |
NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 1ZWP | 0.71 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 3E9X | 0.71 | |
| NIM | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE | A | 2OTH | 0.71 | |
MXX | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.75 | |