Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252584
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 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.75 | |
ANX | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.81 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.72 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.81 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1GAF | 0.8 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1AJ7 | 0.8 | |
4NC | 4-NITROCATECHOL | A | 1NO3 | 0.85 | |
4NC | 4-NITROCATECHOL | B | 2BUU | 0.85 | |
4NC | 4-NITROCATECHOL | B | 2BUZ | 0.85 | |
4NC | 4-NITROCATECHOL | B | 1EOC | 0.85 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.74 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.73 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.73 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.73 | |
TNF | PICRIC ACID | A | 1GVS | 0.83 | |
TNF | PICRIC ACID | X | 1VYP | 0.83 | |
TNF | PICRIC ACID | A | 1VYR | 0.83 | |
TNF | PICRIC ACID | X | 1VYS | 0.83 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.8 | |
4NL | 4-AMINOPHENOL | A | 2ORL | 0.82 | |
2AF | 2-AMINOPHENOL | A | 1L4N | 0.77 | |
4NS | 4-nitrophenyl sulfate | X | 2ZYU | 0.93 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.72 | |
PNA | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | A,B,C,D | 1VAM | 0.7 | |
NCH | P-NITROPHENYL-PHOSPHOCHOLINE | L | 1DL7 | 0.8 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B16 | 0.85 | |
DNF | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.85 | |
DNF | 2,4-DINITROPHENOL | A | 1GVO | 0.85 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B15 | 0.85 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B14 | 0.85 | |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | P | 1E2S | 0.82 | |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | A | 1PA9 | 0.82 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.72 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.72 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.72 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.72 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.72 | |
B4N | bis(4-nitrophenyl) hydrogen phosphate | A | 3DH8 | 0.85 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.77 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.77 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.7 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.7 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.94 | |
NPO | P-NITROPHENOL | X | 2ZYW | 0.94 | |
NPO | P-NITROPHENOL | H,L | 1YEK | 0.94 | |
NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.94 | |
NPO | P-NITROPHENOL | A | 1LS6 | 0.94 | |
NPO | P-NITROPHENOL | X | 2ZVP | 0.94 | |
NPO | P-NITROPHENOL | A,B | 2I10 | 0.94 | |
NPO | P-NITROPHENOL | A | 1VAH | 0.94 | |
NPO | P-NITROPHENOL | A,B | 3ETT | 0.94 | |
NPO | P-NITROPHENOL | A,B | 2D20 | 0.94 | |
NPO | P-NITROPHENOL | X | 2ZYV | 0.94 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWY | 0.77 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWM | 0.77 | |
DNC | 3,5-DINITROCATECHOL | A | 1VID | 0.77 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1D1Q | 0.91 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1VE7 | 0.91 | |
4NP | 4-NITROPHENYL PHOSPHATE | A | 2I6P | 0.91 | |
KHP | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)- TETRAHYDRO-FURAN-3,4-DIOL | A,B | 1QW9 | 0.72 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.72 | |
147 | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C | 1KRV | 0.7 | |
147 | 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE | A,B,C,D | 1JYW | 0.7 | |
PNG | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A | 2ZOX | 0.7 | |
PNG | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | A,B,C,D | 1VAL | 0.7 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A,B,D,F | 1KNO | 0.89 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A | 1ZED | 0.89 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.73 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.73 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.73 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.73 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.73 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.73 |