Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004719
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 |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.86 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.7 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.7 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.7 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.72 | |
BVA | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.77 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.78 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.78 | |
APZ | 4-AMINOPHTHALHYDRAZIDE | A | 1ENU | 0.75 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1XI2 | 0.73 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1ZX1 | 0.73 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1IDT | 0.73 | |
CB1 | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 2BZS | 0.73 | |
SN2 | 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4- DINTRO-BENZAMIDE | A,B | 1OO6 | 0.71 | |
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 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.89 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.71 | |
CRI | A,B | 1VKG | 0.72 | ||
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.7 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.7 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.75 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.75 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.75 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.75 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.75 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.75 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.7 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.7 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.79 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.81 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.81 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.81 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.81 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.81 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.81 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.81 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.74 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.7 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.7 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.74 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.74 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.74 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.74 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.72 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.72 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.79 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.79 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.74 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.74 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.74 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.74 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.74 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.74 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.74 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.74 | |
ISN | ISATIN | A,B | 1OJA | 0.71 | |
ISN | ISATIN | A,B | 2BK5 | 0.71 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.74 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.71 |