Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02355156
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 |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.76 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.7 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.79 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.75 | |
53N | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.72 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.81 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.82 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.74 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.75 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.75 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.71 | |
NBZ | NITROBENZENE | A,B | 3BGU | 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 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.78 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.78 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.8 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.8 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.8 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.75 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 0.81 | |
IBR | A | 9EST | 0.72 | ||
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.76 | |
MAZ | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.75 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.86 | |
TNS | A,B,L | 2G2R | 0.73 | ||
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.73 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.72 | |
AAH | H | 1KEL | 0.72 | ||
AAH | B,H | 1FL6 | 0.72 | ||
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.8 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.71 |