Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02243484
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 |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.74 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.74 | |
ANX | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.79 | |
DMB | A,B | 1SRI | 0.72 | ||
DNF | 2,4-DINITROPHENOL | A,B | 2B16 | 0.82 | |
DNF | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.82 | |
DNF | 2,4-DINITROPHENOL | A | 1GVO | 0.82 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B15 | 0.82 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B14 | 0.82 | |
NCH | P-NITROPHENYL-PHOSPHOCHOLINE | L | 1DL7 | 0.74 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.72 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.72 | |
MTB | A,B | 1SRF | 0.7 | ||
B4N | bis(4-nitrophenyl) hydrogen phosphate | A | 3DH8 | 0.76 | |
4NS | 4-nitrophenyl sulfate | X | 2ZYU | 0.82 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A,B,D,F | 1KNO | 0.81 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A | 1ZED | 0.81 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.72 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.81 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.81 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.75 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.76 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1D1Q | 0.81 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1VE7 | 0.81 | |
4NP | 4-NITROPHENYL PHOSPHATE | A | 2I6P | 0.81 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.73 | |
HAB | A,B | 1SRE | 0.72 | ||
TNF | PICRIC ACID | A | 1GVS | 0.8 | |
TNF | PICRIC ACID | X | 1VYP | 0.8 | |
TNF | PICRIC ACID | A | 1VYR | 0.8 | |
TNF | PICRIC ACID | X | 1VYS | 0.8 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.71 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.77 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.77 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.77 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.71 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.73 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.9 | |
NPO | P-NITROPHENOL | X | 2ZYW | 0.9 | |
NPO | P-NITROPHENOL | H,L | 1YEK | 0.9 | |
NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.9 | |
NPO | P-NITROPHENOL | A | 1LS6 | 0.9 | |
NPO | P-NITROPHENOL | X | 2ZVP | 0.9 | |
NPO | P-NITROPHENOL | A,B | 2I10 | 0.9 | |
NPO | P-NITROPHENOL | A | 1VAH | 0.9 | |
NPO | P-NITROPHENOL | A,B | 3ETT | 0.9 | |
NPO | P-NITROPHENOL | A,B | 2D20 | 0.9 | |
NPO | P-NITROPHENOL | X | 2ZYV | 0.9 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.91 | |
MHB | A,B | 1SRG | 0.74 | ||
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.73 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.72 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.72 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWY | 0.75 | |
DNC | 3,5-DINITROCATECHOL | A | 3BWM | 0.75 | |
DNC | 3,5-DINITROCATECHOL | A | 1VID | 0.75 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.75 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.73 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.79 | |
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 | |
DNT | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.85 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1J3F | 0.71 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1UFJ | 0.71 | |
CZM | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)- BENZENE-1,2-DIAMINE' | A | 1V9Q | 0.71 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.83 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.7 | |
BRS | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6- DINITRO-PHENOL | A,B,D,M,N,O,P | 1KFY | 0.78 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1GAF | 0.75 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1AJ7 | 0.75 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.74 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.74 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.74 | |
4NL | 4-AMINOPHENOL | A | 2ORL | 0.79 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.72 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.72 | |
2AF | 2-AMINOPHENOL | A | 1L4N | 0.75 | |
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.7 | |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | P | 1E2S | 0.79 | |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | A | 1PA9 | 0.79 | |
4NC | 4-NITROCATECHOL | A | 1NO3 | 0.82 | |
4NC | 4-NITROCATECHOL | B | 2BUU | 0.82 | |
4NC | 4-NITROCATECHOL | B | 2BUZ | 0.82 | |
4NC | 4-NITROCATECHOL | B | 1EOC | 0.82 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.7 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.76 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.76 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.76 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.76 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.76 |