Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02446645
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 |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.71 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.7 | |
BVA | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.7 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.72 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.75 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.74 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.74 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.74 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.74 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.71 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.75 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.74 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.73 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.75 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.74 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.8 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.72 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.72 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.72 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.72 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.72 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.72 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.72 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.75 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.73 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.73 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.73 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.73 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.73 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.73 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.8 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.8 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.8 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.8 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.8 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.8 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.8 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.8 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.74 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.74 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.74 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.82 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.82 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.76 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.73 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.75 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.74 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.71 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.73 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.73 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.73 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.73 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.76 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.87 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.87 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.75 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.75 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.7 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.77 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.77 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.75 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.76 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.76 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.8 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.71 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.76 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.8 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.71 |