Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006214
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 |
NPB![]() | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.84 | ![]() |
5AN![]() | 3,5-DIFLUOROANILINE | A | 1LGX | 0.73 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.74 | ![]() |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.87 | ![]() |
APB![]() | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.72 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.82 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2BMR | 0.96 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2HMO | 0.96 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.74 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.74 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.74 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.74 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.86 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.86 | ![]() |
NCR![]() | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.71 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.71 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.77 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.81 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.81 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.81 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.81 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.81 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.81 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.81 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.81 | ![]() |
NBE![]() | NITROSOBENZENE | A | 1LH7 | 0.8 | ![]() |
NBE![]() | NITROSOBENZENE | A | 2LH7 | 0.8 | ![]() |
NBE![]() | NITROSOBENZENE | A | 2NSS | 0.8 | ![]() |
SNO![]() | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.71 | ![]() |
NID![]() | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.78 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.78 | ![]() |
1AN![]() | 2-FLUOROANILINE | A | 1LGW | 0.75 | ![]() |
BPN![]() | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.75 | ![]() |
4NM![]() | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.85 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.72 | ![]() |
RNO![]() | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.71 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.81 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.81 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.81 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.72 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.72 | ![]() |
CFQ![]() | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.72 | ![]() |
259![]() | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.76 | ![]() |
ANL![]() | ANILINE | A | 2OV4 | 0.71 | ![]() |
ANL![]() | ANILINE | A | 1AEE | 0.71 | ![]() |
ANL![]() | ANILINE | A | 1PPA | 0.71 | ![]() |
ANL![]() | ANILINE | A | 1HJ9 | 0.71 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.76 | ![]() |
PND![]() | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.75 | ![]() |
ASR![]() | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.72 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.72 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 2BMQ | 0.86 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 3BGU | 0.86 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.76 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.79 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.79 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.79 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.79 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.74 | ![]() |