Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01290881
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 |
TNB | S-(2,3,6-TRINITROPHENYL)CYSTEINE | A,B,C,D,E,F, G,H | 1AQX | 0.7 |  |
MB1 | 2-chloro-5-nitrobenzenesulfonamide | A | 2QP6 | 0.74 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E36 | 0.71 | |
| TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E37 | 0.71 | |
| TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E38 | 0.71 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.72 | |
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 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.7 | |
AAS | 3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE | A | 1CZM | 0.81 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.72 | |
| 3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.72 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.75 | |
| NIN | DINITROPHENYLENE | A | 1GVY | 0.75 | |
| NIN | DINITROPHENYLENE | A | 1GW1 | 0.75 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.7 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.7 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.7 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.7 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.73 | |
| PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.73 | |
ROK | 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE | A,B,C,D,E,F, G,H | 2VT5 | 0.72 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.72 | |
| NBE | NITROSOBENZENE | A | 2LH7 | 0.72 | |
| NBE | NITROSOBENZENE | A | 2NSS | 0.72 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.8 | |
SG1 | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)- BENZENESULFONAMIDE | A | 1KWQ | 0.73 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.77 | |
| NBZ | NITROBENZENE | A,B | 3BGU | 0.77 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.82 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.75 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.72 | |
AMS | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.79 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.76 | |