Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00813752
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 | 0.74 | ![]() |
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 | ![]() |
NBE![]() | NITROSOBENZENE | A | 1LH7 | 0.71 | ![]() |
NBE![]() | NITROSOBENZENE | A | 2LH7 | 0.71 | ![]() |
NBE![]() | NITROSOBENZENE | A | 2NSS | 0.71 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.75 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.75 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.73 | ![]() |
4NM![]() | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.78 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2BMR | 0.85 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2HMO | 0.85 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.76 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.75 | ![]() |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.79 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.73 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.75 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 2BMQ | 0.76 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 3BGU | 0.76 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.74 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.74 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.74 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.76 | ![]() |
VC3![]() | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.72 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.73 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.82 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.82 | ![]() |
PND![]() | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.74 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.73 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.73 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.73 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.73 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.73 | ![]() |