Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02199444
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 |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.73 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.73 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.73 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.73 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.72 | ![]() |
PND![]() | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.71 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.71 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.71 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.71 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.71 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.71 | ![]() |
NPB![]() | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.75 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.73 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.73 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.75 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.75 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.75 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.7 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.7 | ![]() |
RPN![]() | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.7 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.73 | ![]() |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.8 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.72 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.72 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.7 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.85 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.85 | ![]() |
4NM![]() | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.79 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.77 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 2BMQ | 0.75 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 3BGU | 0.75 | ![]() |
BPN![]() | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.71 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.72 | ![]() |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.71 | ![]() |
DOF![]() | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.74 | ![]() |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.73 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.73 | ![]() | |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.72 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2BMR | 0.81 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2HMO | 0.81 | ![]() |