Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023046
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 |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.75 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.75 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.72 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.75 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.8 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.8 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.7 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.7 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.7 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.7 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.72 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.84 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.84 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.84 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.78 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.76 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.78 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.78 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.78 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.78 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.78 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.78 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.78 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.78 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.72 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.91 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.73 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.71 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.82 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.82 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.88 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.88 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.74 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.74 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.74 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.8 |