Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02352257
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 |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.74 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.74 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.7 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.7 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.73 | |
ANL | ANILINE | A | 2OV4 | 0.77 | |
ANL | ANILINE | A | 1AEE | 0.77 | |
ANL | ANILINE | A | 1PPA | 0.77 | |
ANL | ANILINE | A | 1HJ9 | 0.77 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.72 | |
PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.72 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.73 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.8 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.8 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.73 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.73 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.74 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.74 | |
IDM | INDOLINE | A,B | 3CEP | 0.71 | |
IDM | INDOLINE | A | 1AEK | 0.71 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.71 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.86 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.86 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.86 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.86 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.86 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.86 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.74 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.74 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.85 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.71 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.71 | |
ABN | BENZYLAMINE | A | 1UTN | 0.71 | |
ABN | BENZYLAMINE | A | 1N6X | 0.71 | |
ABN | BENZYLAMINE | A | 2BZA | 0.71 | |
ABN | BENZYLAMINE | A | 2EUS | 0.71 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.71 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.71 | |
NHP | 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID | A,B | 1CX9 | 0.74 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.86 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.75 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.76 | |
AMS | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.7 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.79 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.79 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.79 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.79 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.79 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.79 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.79 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.79 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.7 | |
5BM | (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile | A | 3EQH | 0.72 | |
BRN | BERENIL | A,B | 268D | 0.72 | |
BRN | BERENIL | A,B | 1D63 | 0.72 | |
BRN | BERENIL | A,D,E | 2GBY | 0.72 | |
BRN | BERENIL | A | 2DBE | 0.72 | |
BRN | BERENIL | A | 2GVR | 0.72 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.84 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.87 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.76 | |
259 | 1-(methylsulfanyl)-4-nitrobenzene | X | 2RAZ | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.83 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.83 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.83 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.83 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.82 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.71 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.82 | |
SBN | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE | A | 1JLQ | 0.73 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.71 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.84 |