Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03005045
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 |
NBE | NITROSOBENZENE | A | 1LH7 | 0.71 |  |
| NBE | NITROSOBENZENE | A | 2LH7 | 0.71 | |
| NBE | NITROSOBENZENE | A | 2NSS | 0.71 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.73 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.7 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
| XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.75 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.73 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.8 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.86 | |
| 3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.86 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.74 | |
| NIN | DINITROPHENYLENE | A | 1GVY | 0.74 | |
| NIN | DINITROPHENYLENE | A | 1GW1 | 0.74 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.71 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.8 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.72 | |
TNS | A,B,L | 2G2R | 0.72 | | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.83 | |
| PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.83 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.7 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.77 | |
| NBZ | NITROBENZENE | A,B | 3BGU | 0.77 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.82 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.71 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.71 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.71 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.71 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.74 | |
| NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.74 | |
| NIT | 4-NITROANILINE | B | 1VBS | 0.74 | |
| NIT | 4-NITROANILINE | C | 1V9T | 0.74 | |
| NIT | 4-NITROANILINE | C,D | 1VBT | 0.74 | |
| NIT | 4-NITROANILINE | B | 1LOP | 0.74 | |
| NIT | 4-NITROANILINE | C,D | 1ZKF | 0.74 | |
| NIT | 4-NITROANILINE | B | 1PIP | 0.74 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.73 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.7 | |
AAH | H | 1KEL | 0.72 | | |
| AAH | B,H | 1FL6 | 0.72 | |