Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00081454
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 |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.74 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.72 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.7 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.72 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.7 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.84 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.84 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.74 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.84 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.84 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.84 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.84 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | |
I7C | 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE- 1,3-DISULFONAMIDE | A | 2POW | 0.77 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.75 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.75 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.73 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.7 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.7 | |
AMS | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.72 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.84 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.71 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.74 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.71 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.76 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
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 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.73 | |
ANL | ANILINE | A | 2OV4 | 0.73 | |
ANL | ANILINE | A | 1AEE | 0.73 | |
ANL | ANILINE | A | 1PPA | 0.73 | |
ANL | ANILINE | A | 1HJ9 | 0.73 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.71 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.8 | |
U12 | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.76 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.71 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.71 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.82 | |
IDM | INDOLINE | A,B | 3CEP | 0.73 | |
IDM | INDOLINE | A | 1AEK | 0.73 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.84 | |
MNS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.71 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.76 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.71 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.71 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.76 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.76 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.79 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.71 | |
U19 | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG5 | 0.75 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.85 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.79 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.71 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.72 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.82 |