Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00600132
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 |
A8B | A | 1ODC | 0.74 |  | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.72 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.71 | |
CPU | A,B | 1CR6 | 0.73 | | |
MNS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.72 | |
GAS | B,H | 1ETZ | 0.73 | | |
| GAS | H | 2CGR | 0.73 | | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.7 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.72 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.77 | |
| ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.77 | |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.79 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.75 | |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.73 | |
ZAT | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.73 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.73 | |
DBR | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- BUTYL-AMIDE | A | 1RF9 | 0.7 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.7 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.72 | |
DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1LWL | 0.7 | |
| DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1RE9 | 0.7 | |
AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAR | 0.75 | |
| AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAS | 0.75 | |
C4H | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]- 3-SULFANYLPROPANAMIDE | A,B | 2DOO | 0.76 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 3CFN | 0.74 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 2ANS | 0.74 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1OW4 | 0.74 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A | 1EYN | 0.74 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1TXC | 0.74 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.72 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.71 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.78 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.74 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.79 | |
| CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.79 | |
IDM | INDOLINE | A,B | 3CEP | 0.73 | |
| IDM | INDOLINE | A | 1AEK | 0.73 | |
GP6 | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.71 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.72 | |
DQO | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)- 7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN- 2(1H)-ONE | A | 1M7Q | 0.74 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.76 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.71 | |
| P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.71 | |
| P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.71 | |
| P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.71 | |
| P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.71 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.78 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.74 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.7 | |
CRI | A,B | 1VKG | 0.71 | | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.7 | |
FRQ | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.71 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.77 | |
| BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.77 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.76 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.76 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.7 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.7 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.7 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.7 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.7 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.7 | |
MC2 | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.81 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.76 | |